N-(5-methyl-1,2-oxazol-3-yl)-4-(propanoylamino)benzamide

C14H15N3O3 — CID 1085285

IUPACN-(5-methyl-1,2-oxazol-3-yl)-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C14H15N3O3/c1-3-13(18)15-11-6-4-10(5-7-11)14(19)16-12-8-9(2)20-17-12/h4-8H,3H2,1-2H3,(H,15,18)(H,16,17,19)
InChIKeyJZKLCCHPHPEARC-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.58
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-4-(propanoylamino)benzamide

N-(5-methyl-1,2-oxazol-3-yl)-4-(propanoylamino)benzamide (PubChem CID 1085285) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-4-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-4-(propanoylamino)benzamide
PubChem CID1085285
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C14H15N3O3/c1-3-13(18)15-11-6-4-10(5-7-11)14(19)16-12-8-9(2)20-17-12/h4-8H,3H2,1-2H3,(H,15,18)(H,16,17,19)
InChIKeyJZKLCCHPHPEARC-UHFFFAOYSA-N
XLogP2.58
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Soretolide
CID 198730
2,4-Dichloro-N-(5-methyl-3-isoxazolyl)benzamide
CID 670270
N-(5-methyl-3-isoxazolyl)-4-[methyl(phenylsulfonyl)amino]benzamide
CID 1310191
N-(4-(3-(5-tert-butylisoxazol-3-yl)ureido)phenyl)benzamide
CID 11485752
4-tert-butyl-N-(5-methyl-3-isoxazolyl)benzamide
CID 670749
Benzamide, N-(5-methyl-3-isoxazolyl)-
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2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitrobenzamide
CID 694855
N-(5-methyl-3-isoxazolyl)-4-{[(4-methylphenyl)sulfonyl]amino}benzamide
CID 1300581
2-(3-methylphenyl)-N-(1,2-oxazol-3-yl)acetamide
CID 6467231
3-(5-Methyl-1,2-oxazol-3-YL)-1-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-YL]urea
CID 20924386
tert-butyl N-[4-[3-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-1,2-oxazol-5-yl]phenyl]carbamate
CID 164627446
N-(5-methyl-3-isoxazolyl)-N'-(4-methylphenyl)urea
CID 728587

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-(propanoylamino)benzamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-(propanoylamino)benzamide (CID 1085285) is N-(5-methyl-1,2-oxazol-3-yl)-4-(propanoylamino)benzamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-4-(propanoylamino)benzamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-4-(propanoylamino)benzamide is CCC(=O)Nc1ccc(C(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-4-(propanoylamino)benzamide?
The InChIKey is JZKLCCHPHPEARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-3-13(18)15-11-6-4-10(5-7-11)14(19)16-12-8-9(2)20-17-12/h4-8H,3H2,1-2H3,(H,15,18)(H,16,17,19).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-4-(propanoylamino)benzamide?
N-(5-methyl-1,2-oxazol-3-yl)-4-(propanoylamino)benzamide has a molecular weight of 273.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-4-(propanoylamino)benzamide is sourced from PubChem (CID 1085285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).