3-methyl-N-[2-(methylcarbamoyl)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide

C16H19N3O3 — CID 110606688

IUPAC3-methyl-N-[2-(methylcarbamoyl)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCNC(=O)c1ccccc1NC(=O)c1c(C)noc1C(C)C
InChIInChI=1S/C16H19N3O3/c1-9(2)14-13(10(3)19-22-14)16(21)18-12-8-6-5-7-11(12)15(20)17-4/h5-9H,1-4H3,(H,17,20)(H,18,21)
InChIKeyBYKVTWMAQTWVEF-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.72
Rot. Bonds4

About 3-methyl-N-[2-(methylcarbamoyl)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide

3-methyl-N-[2-(methylcarbamoyl)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 110606688) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-methyl-N-[2-(methylcarbamoyl)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(methylcarbamoyl)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID110606688
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-methyl-N-[2-(methylcarbamoyl)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCNC(=O)c1ccccc1NC(=O)c1c(C)noc1C(C)C
InChIInChI=1S/C16H19N3O3/c1-9(2)14-13(10(3)19-22-14)16(21)18-12-8-6-5-7-11(12)15(20)17-4/h5-9H,1-4H3,(H,17,20)(H,18,21)
InChIKeyBYKVTWMAQTWVEF-UHFFFAOYSA-N
XLogP2.72
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-carbamoylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110675294
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 30780069
N-(4-iodo-2-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 47113050
N-(2-hydroxy-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 18164312
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9270594
[2-(2-acetylanilino)-2-oxoethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 8507426
2-amino-6-methyl-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 43574320
3-methyl-5-propan-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-oxazole-4-carboxamide
CID 110622826
2-amino-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 43402957
N-(3-chloro-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9068444
N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 103944559
3,5-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 18158423

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(methylcarbamoyl)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[2-(methylcarbamoyl)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 110606688) is 3-methyl-N-[2-(methylcarbamoyl)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(methylcarbamoyl)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(methylcarbamoyl)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide is CNC(=O)c1ccccc1NC(=O)c1c(C)noc1C(C)C.
What is the InChIKey of 3-methyl-N-[2-(methylcarbamoyl)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is BYKVTWMAQTWVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-9(2)14-13(10(3)19-22-14)16(21)18-12-8-6-5-7-11(12)15(20)17-4/h5-9H,1-4H3,(H,17,20)(H,18,21).
What are the key properties of 3-methyl-N-[2-(methylcarbamoyl)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
3-methyl-N-[2-(methylcarbamoyl)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(methylcarbamoyl)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110606688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).