3-[5-[2-(5-amino-2-methylanilino)-1,3-oxazol-5-yl]-3-pyridinyl]-1H-pyridin-2-one

C20H17N5O2 — CID 90233570

IUPAC3-[5-[2-(5-amino-2-methylanilino)-1,3-oxazol-5-yl]-3-pyridinyl]-1H-pyridin-2-one
SMILESCc1ccc(N)cc1Nc1ncc(-c2cncc(-c3ccc[nH]c3=O)c2)o1
InChIInChI=1S/C20H17N5O2/c1-12-4-5-15(21)8-17(12)25-20-24-11-18(27-20)14-7-13(9-22-10-14)16-3-2-6-23-19(16)26/h2-11H,21H2,1H3,(H,23,26)(H,24,25)
InChIKeyHPSALCJANNPGMS-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.73
Rot. Bonds4

About 3-[5-[2-(5-amino-2-methylanilino)-1,3-oxazol-5-yl]-3-pyridinyl]-1H-pyridin-2-one

3-[5-[2-(5-amino-2-methylanilino)-1,3-oxazol-5-yl]-3-pyridinyl]-1H-pyridin-2-one (PubChem CID 90233570) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-[5-[2-(5-amino-2-methylanilino)-1,3-oxazol-5-yl]-3-pyridinyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[5-[2-(5-amino-2-methylanilino)-1,3-oxazol-5-yl]-3-pyridinyl]-1H-pyridin-2-one
PubChem CID90233570
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name3-[5-[2-(5-amino-2-methylanilino)-1,3-oxazol-5-yl]-3-pyridinyl]-1H-pyridin-2-one
SMILESCc1ccc(N)cc1Nc1ncc(-c2cncc(-c3ccc[nH]c3=O)c2)o1
InChIInChI=1S/C20H17N5O2/c1-12-4-5-15(21)8-17(12)25-20-24-11-18(27-20)14-7-13(9-22-10-14)16-3-2-6-23-19(16)26/h2-11H,21H2,1H3,(H,23,26)(H,24,25)
InChIKeyHPSALCJANNPGMS-UHFFFAOYSA-N
XLogP3.73
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[5-[2-(5-amino-2-methylanilino)-1,3-oxazol-5-yl]-3-pyridinyl]-1H-pyridin-2-one with MolForge

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Related Compounds

3-[3-amino-5-[2-[5-[2-(dimethylamino)ethoxy]-2-methylanilino]-1,3-oxazol-5-yl]phenyl]-1H-pyridin-2-one
CID 89399355
4-methyl-1-N-(5-phenyl-1,3-oxazol-2-yl)-3-N-(5-pyridin-4-yl-1,3-oxazol-2-yl)benzene-1,3-diamine
CID 11395732
3-[5-[2-[5-(methoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-3-pyridinyl]-1H-imidazol-2-one;hydrochloride
CID 118936688
4-[2-(5-acetyl-2-methylanilino)-1,3-oxazol-5-yl]benzamide
CID 11965524
1-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 11305537
4-methyl-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]pentanamide
CID 11371968
3-[3-(3-aminopropoxy)-5-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]phenyl]-4-methyl-1H-pyridin-2-one
CID 71243505
1-[4-(iodomethyl)phenyl]-3-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]urea
CID 89327547
4-methyl-3-[4-[2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-1H-pyridin-2-one
CID 71243476
4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-3-methyl-1,2-dihydropyrrol-5-one
CID 160905581
3-(6-methyl-3-pyridinyl)-1H-pyridin-2-one
CID 141047342
N-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]-3-piperazin-1-ylpropanamide
CID 11246764

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(5-amino-2-methylanilino)-1,3-oxazol-5-yl]-3-pyridinyl]-1H-pyridin-2-one?
The IUPAC name of 3-[5-[2-(5-amino-2-methylanilino)-1,3-oxazol-5-yl]-3-pyridinyl]-1H-pyridin-2-one (CID 90233570) is 3-[5-[2-(5-amino-2-methylanilino)-1,3-oxazol-5-yl]-3-pyridinyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[5-[2-(5-amino-2-methylanilino)-1,3-oxazol-5-yl]-3-pyridinyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[5-[2-(5-amino-2-methylanilino)-1,3-oxazol-5-yl]-3-pyridinyl]-1H-pyridin-2-one is Cc1ccc(N)cc1Nc1ncc(-c2cncc(-c3ccc[nH]c3=O)c2)o1.
What is the InChIKey of 3-[5-[2-(5-amino-2-methylanilino)-1,3-oxazol-5-yl]-3-pyridinyl]-1H-pyridin-2-one?
The InChIKey is HPSALCJANNPGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-12-4-5-15(21)8-17(12)25-20-24-11-18(27-20)14-7-13(9-22-10-14)16-3-2-6-23-19(16)26/h2-11H,21H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 3-[5-[2-(5-amino-2-methylanilino)-1,3-oxazol-5-yl]-3-pyridinyl]-1H-pyridin-2-one?
3-[5-[2-(5-amino-2-methylanilino)-1,3-oxazol-5-yl]-3-pyridinyl]-1H-pyridin-2-one has a molecular weight of 359.39 g/mol, XLogP of 3.73, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(5-amino-2-methylanilino)-1,3-oxazol-5-yl]-3-pyridinyl]-1H-pyridin-2-one is sourced from PubChem (CID 90233570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).