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

C18H20N4O3 — CID 67151749

IUPACN-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-methoxypyridine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(CCC3COC(N)=N3)cc2)nc1
InChIInChI=1S/C18H20N4O3/c1-24-15-8-9-16(20-10-15)17(23)21-13-5-2-12(3-6-13)4-7-14-11-25-18(19)22-14/h2-3,5-6,8-10,14H,4,7,11H2,1H3,(H2,19,22)(H,21,23)
InChIKeyMWJQXBHIRXCRTO-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.99
Rot. Bonds6

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

N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-methoxypyridine-2-carboxamide (PubChem CID 67151749) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-methoxypyridine-2-carboxamide
PubChem CID67151749
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-methoxypyridine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(CCC3COC(N)=N3)cc2)nc1
InChIInChI=1S/C18H20N4O3/c1-24-15-8-9-16(20-10-15)17(23)21-13-5-2-12(3-6-13)4-7-14-11-25-18(19)22-14/h2-3,5-6,8-10,14H,4,7,11H2,1H3,(H2,19,22)(H,21,23)
InChIKeyMWJQXBHIRXCRTO-UHFFFAOYSA-N
XLogP1.99
TPSA98.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.99
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]-5-chloropyridine-2-carboxamide
CID 76747754
N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 67151540
N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-propan-2-ylpyrazine-2-carboxamide
CID 58256317
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
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]-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-ethyl-1,3-oxazole-4-carboxamide
CID 53234710
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-chloro-3-fluoropyridine-2-carboxamide
CID 76747740
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
3-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]anilino]pyrazine-2-carbonitrile;5-methoxypyridin-2-amine
CID 159211586

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-methoxypyridine-2-carboxamide?
The IUPAC name of N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-methoxypyridine-2-carboxamide (CID 67151749) is N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-methoxypyridine-2-carboxamide is COc1ccc(C(=O)Nc2ccc(CCC3COC(N)=N3)cc2)nc1.
What is the InChIKey of N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-methoxypyridine-2-carboxamide?
The InChIKey is MWJQXBHIRXCRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-24-15-8-9-16(20-10-15)17(23)21-13-5-2-12(3-6-13)4-7-14-11-25-18(19)22-14/h2-3,5-6,8-10,14H,4,7,11H2,1H3,(H2,19,22)(H,21,23).
What are the key properties of N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-methoxypyridine-2-carboxamide?
N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-methoxypyridine-2-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-methoxypyridine-2-carboxamide is sourced from PubChem (CID 67151749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).