N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-propan-2-ylpyrazine-2-carboxamide

C19H23N5O2 — CID 58256317

IUPACN-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-propan-2-ylpyrazine-2-carboxamide
SMILESCC(C)c1cnc(C(=O)Nc2ccc(CC[C@H]3COC(N)=N3)cc2)cn1
InChIInChI=1S/C19H23N5O2/c1-12(2)16-9-22-17(10-21-16)18(25)23-14-6-3-13(4-7-14)5-8-15-11-26-19(20)24-15/h3-4,6-7,9-10,12,15H,5,8,11H2,1-2H3,(H2,20,24)(H,23,25)/t15-/m0/s1
InChIKeyNLPLWFRGTKJNDW-HNNXBMFYSA-N
MW353.43 g/mol
LogP2.50
Rot. Bonds6

About N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-propan-2-ylpyrazine-2-carboxamide

N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-propan-2-ylpyrazine-2-carboxamide (PubChem CID 58256317) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-propan-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-propan-2-ylpyrazine-2-carboxamide
PubChem CID58256317
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-propan-2-ylpyrazine-2-carboxamide
SMILESCC(C)c1cnc(C(=O)Nc2ccc(CC[C@H]3COC(N)=N3)cc2)cn1
InChIInChI=1S/C19H23N5O2/c1-12(2)16-9-22-17(10-21-16)18(25)23-14-6-3-13(4-7-14)5-8-15-11-26-19(20)24-15/h3-4,6-7,9-10,12,15H,5,8,11H2,1-2H3,(H2,20,24)(H,23,25)/t15-/m0/s1
InChIKeyNLPLWFRGTKJNDW-HNNXBMFYSA-N
XLogP2.50
TPSA102.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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]-5-(dimethylamino)pyrazine-2-carboxamide
CID 58256429
N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-chloropyridine-2-carboxamide
CID 76747754
N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide
CID 67151584
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]-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-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 53234710
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]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 58256445
1-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-3-(4-fluorophenyl)urea
CID 53235413
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-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-ethylpyrazine-2-carboxamide
CID 67151864

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]-5-propan-2-ylpyrazine-2-carboxamide?
The IUPAC name of N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-propan-2-ylpyrazine-2-carboxamide (CID 58256317) is N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-propan-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-propan-2-ylpyrazine-2-carboxamide?
The canonical SMILES for N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-propan-2-ylpyrazine-2-carboxamide is CC(C)c1cnc(C(=O)Nc2ccc(CC[C@H]3COC(N)=N3)cc2)cn1.
What is the InChIKey of N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-propan-2-ylpyrazine-2-carboxamide?
The InChIKey is NLPLWFRGTKJNDW-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12(2)16-9-22-17(10-21-16)18(25)23-14-6-3-13(4-7-14)5-8-15-11-26-19(20)24-15/h3-4,6-7,9-10,12,15H,5,8,11H2,1-2H3,(H2,20,24)(H,23,25)/t15-/m0/s1.
What are the key properties of N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-propan-2-ylpyrazine-2-carboxamide?
N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-propan-2-ylpyrazine-2-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 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]-5-propan-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 58256317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).