N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-6-chloropyridazine-3-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide

C37H42ClN11O4 — CID 87287928

IUPACN-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-6-chloropyridazine-3-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
SMILESNC1=N[C@@H](CCc2ccc(NC(=O)c3ccc(Cl)nn3)cc2)CO1.NC1=N[C@@H](CCc2ccc(NC(=O)c3cnc(N4CCCCC4)nc3)cc2)CO1
InChIInChI=1S/C21H26N6O2.C16H16ClN5O2/c22-20-26-18(14-29-20)9-6-15-4-7-17(8-5-15)25-19(28)16-12-23-21(24-13-16)27-10-2-1-3-11-27;17-14-8-7-13(21-22-14)15(23)19-11-4-1-10(2-5-11)3-6-12-9-24-16(18)20-12/h4-5,7-8,12-13,18H,1-3,6,9-11,14H2,(H2,22,26)(H,25,28);1-2,4-5,7-8,12H,3,6,9H2,(H2,18,20)(H,19,23)/t18-;12-/m00/s1
InChIKeyQJUACGYBJMJOTN-NFSZIDIXSA-N
MW740.27 g/mol
LogP4.39
Rot. Bonds11

About N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-6-chloropyridazine-3-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide

N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-6-chloropyridazine-3-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide (PubChem CID 87287928) has the molecular formula C37H42ClN11O4 and a molecular weight of 740.27 g/mol. Its IUPAC name is N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-6-chloropyridazine-3-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-6-chloropyridazine-3-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
PubChem CID87287928
Molecular FormulaC37H42ClN11O4
Molecular Weight740.27 g/mol
Exact Mass739.31
IUPAC NameN-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-6-chloropyridazine-3-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
SMILESNC1=N[C@@H](CCc2ccc(NC(=O)c3ccc(Cl)nn3)cc2)CO1.NC1=N[C@@H](CCc2ccc(NC(=O)c3cnc(N4CCCCC4)nc3)cc2)CO1
InChIInChI=1S/C21H26N6O2.C16H16ClN5O2/c22-20-26-18(14-29-20)9-6-15-4-7-17(8-5-15)25-19(28)16-12-23-21(24-13-16)27-10-2-1-3-11-27;17-14-8-7-13(21-22-14)15(23)19-11-4-1-10(2-5-11)3-6-12-9-24-16(18)20-12/h4-5,7-8,12-13,18H,1-3,6,9-11,14H2,(H2,22,26)(H,25,28);1-2,4-5,7-8,12H,3,6,9H2,(H2,18,20)(H,19,23)/t18-;12-/m00/s1
InChIKeyQJUACGYBJMJOTN-NFSZIDIXSA-N
XLogP4.39
TPSA208.22 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.27
LogP ≤ 54.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-6-chloropyridazine-3-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-chloropyridine-2-carboxamide
CID 76747754
N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2,6-dichloropyridine-4-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-ethylpyridine-2-carboxamide
CID 159295655
N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-methoxypyridine-2-carboxamide
CID 67151749
N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 58256445
N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-(dimethylamino)pyrazine-2-carboxamide
CID 58256429
N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide
CID 67151584
1-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-3-(3,4-dichlorophenyl)urea
CID 67156315
N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-6-propan-2-ylpyrazine-2-carboxamide
CID 67151616
N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-3,5-difluoropyridine-2-carboxamide
CID 53235485
N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-pyridin-4-ylpyridine-4-carboxamide
CID 53234705
N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 53234710
N-(4-phenylmethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250239

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-6-chloropyridazine-3-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-6-chloropyridazine-3-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide (CID 87287928) is N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-6-chloropyridazine-3-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-6-chloropyridazine-3-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-6-chloropyridazine-3-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide is NC1=N[C@@H](CCc2ccc(NC(=O)c3ccc(Cl)nn3)cc2)CO1.NC1=N[C@@H](CCc2ccc(NC(=O)c3cnc(N4CCCCC4)nc3)cc2)CO1.
What is the InChIKey of N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-6-chloropyridazine-3-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is QJUACGYBJMJOTN-NFSZIDIXSA-N. The full InChI is InChI=1S/C21H26N6O2.C16H16ClN5O2/c22-20-26-18(14-29-20)9-6-15-4-7-17(8-5-15)25-19(28)16-12-23-21(24-13-16)27-10-2-1-3-11-27;17-14-8-7-13(21-22-14)15(23)19-11-4-1-10(2-5-11)3-6-12-9-24-16(18)20-12/h4-5,7-8,12-13,18H,1-3,6,9-11,14H2,(H2,22,26)(H,25,28);1-2,4-5,7-8,12H,3,6,9H2,(H2,18,20)(H,19,23)/t18-;12-/m00/s1.
What are the key properties of N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-6-chloropyridazine-3-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide?
N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-6-chloropyridazine-3-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 740.27 g/mol, XLogP of 4.39, 11 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-6-chloropyridazine-3-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 87287928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).