3-(3-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C14H17N3O3 — CID 109039607

IUPAC3-(3-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCOc1cccc(NCCC(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C14H17N3O3/c1-10-8-13(17-20-10)16-14(18)6-7-15-11-4-3-5-12(9-11)19-2/h3-5,8-9,15H,6-7H2,1-2H3,(H,16,17,18)
InChIKeyJMJVBGIYEXOCQD-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.43
Rot. Bonds6

About 3-(3-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-(3-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 109039607) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-(3-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(3-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID109039607
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-(3-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCOc1cccc(NCCC(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C14H17N3O3/c1-10-8-13(17-20-10)16-14(18)6-7-15-11-4-3-5-12(9-11)19-2/h3-5,8-9,15H,6-7H2,1-2H3,(H,16,17,18)
InChIKeyJMJVBGIYEXOCQD-UHFFFAOYSA-N
XLogP2.43
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,5-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109040419
2,6-dimethoxy-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]benzamide
CID 110370352
N-(3-methoxyphenyl)-3-(4-methylanilino)propanamide
CID 109034467
1-N-(3-methoxyphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109057638
N-(2,6-difluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109042862
2-(3-cyclopentyloxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 37231455
N-[4-(dimethylamino)phenyl]-3-(3-methoxyanilino)propanamide
CID 109039563
N-(2,6-dimethylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109035848
N-(2,4-dimethoxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide
CID 863139
3,5-dimethoxy-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]benzamide
CID 17191729
3-(3-methoxyanilino)propanamide
CID 43131962
2-[(3-methoxyphenyl)carbamoyl-prop-2-enylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42769233

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-(3-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 109039607) is 3-(3-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-(3-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-(3-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is COc1cccc(NCCC(=O)Nc2cc(C)on2)c1.
What is the InChIKey of 3-(3-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is JMJVBGIYEXOCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-10-8-13(17-20-10)16-14(18)6-7-15-11-4-3-5-12(9-11)19-2/h3-5,8-9,15H,6-7H2,1-2H3,(H,16,17,18).
What are the key properties of 3-(3-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-(3-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 275.31 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 109039607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).