N-(3-acetylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

C14H14N2O3 — CID 3240995

IUPACN-(3-acetylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2oc(C)nc2C)c1
InChIInChI=1S/C14H14N2O3/c1-8-13(19-10(3)15-8)14(18)16-12-6-4-5-11(7-12)9(2)17/h4-7H,1-3H3,(H,16,18)
InChIKeyDVBGIQKSBWBCGT-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.75
Rot. Bonds3

About N-(3-acetylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-(3-acetylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 3240995) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID3240995
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN-(3-acetylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2oc(C)nc2C)c1
InChIInChI=1S/C14H14N2O3/c1-8-13(19-10(3)15-8)14(18)16-12-6-4-5-11(7-12)9(2)17/h4-7H,1-3H3,(H,16,18)
InChIKeyDVBGIQKSBWBCGT-UHFFFAOYSA-N
XLogP2.75
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 3240995) is N-(3-acetylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is CC(=O)c1cccc(NC(=O)c2oc(C)nc2C)c1.
What is the InChIKey of N-(3-acetylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is DVBGIQKSBWBCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-8-13(19-10(3)15-8)14(18)16-12-6-4-5-11(7-12)9(2)17/h4-7H,1-3H3,(H,16,18).
What are the key properties of N-(3-acetylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-(3-acetylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 3240995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).