N-(4-carbamoylphenyl)-3-methyl-1,2-oxazole-5-carboxamide

C12H11N3O3 — CID 21432228

IUPACN-(4-carbamoylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(N)=O)cc2)on1
InChIInChI=1S/C12H11N3O3/c1-7-6-10(18-15-7)12(17)14-9-4-2-8(3-5-9)11(13)16/h2-6H,1H3,(H2,13,16)(H,14,17)
InChIKeyKWEIWWLOGGPONR-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.33
Rot. Bonds3

About N-(4-carbamoylphenyl)-3-methyl-1,2-oxazole-5-carboxamide

N-(4-carbamoylphenyl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 21432228) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID21432228
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC NameN-(4-carbamoylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(N)=O)cc2)on1
InChIInChI=1S/C12H11N3O3/c1-7-6-10(18-15-7)12(17)14-9-4-2-8(3-5-9)11(13)16/h2-6H,1H3,(H2,13,16)(H,14,17)
InChIKeyKWEIWWLOGGPONR-UHFFFAOYSA-N
XLogP1.33
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911460
N-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 104954922
3-methyl-N-(4-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide
CID 16880199
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 76930098
3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide
CID 43911430
N-(3-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911458
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911455
N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911440
3-methyl-N-[3-(pyridine-4-carbonylamino)phenyl]-1,2-oxazole-5-carboxamide
CID 39186715
3-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 75513517
N-[3-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 63254601
N-[4-(3-aminoprop-1-ynyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 54922392

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-3-methyl-1,2-oxazole-5-carboxamide (CID 21432228) is N-(4-carbamoylphenyl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2ccc(C(N)=O)cc2)on1.
What is the InChIKey of N-(4-carbamoylphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is KWEIWWLOGGPONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-7-6-10(18-15-7)12(17)14-9-4-2-8(3-5-9)11(13)16/h2-6H,1H3,(H2,13,16)(H,14,17).
What are the key properties of N-(4-carbamoylphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(4-carbamoylphenyl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 245.24 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 21432228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).