3,5-dimethyl-N-[3-(propylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide

C16H19N3O3 — CID 46474322

IUPAC3,5-dimethyl-N-[3-(propylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCCCNC(=O)c1cccc(NC(=O)c2c(C)noc2C)c1
InChIInChI=1S/C16H19N3O3/c1-4-8-17-15(20)12-6-5-7-13(9-12)18-16(21)14-10(2)19-22-11(14)3/h5-7,9H,4,8H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyCUWDESWIHIVRCF-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.68
Rot. Bonds5

About 3,5-dimethyl-N-[3-(propylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[3-(propylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 46474322) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3,5-dimethyl-N-[3-(propylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[3-(propylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID46474322
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3,5-dimethyl-N-[3-(propylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCCCNC(=O)c1cccc(NC(=O)c2c(C)noc2C)c1
InChIInChI=1S/C16H19N3O3/c1-4-8-17-15(20)12-6-5-7-13(9-12)18-16(21)14-10(2)19-22-11(14)3/h5-7,9H,4,8H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyCUWDESWIHIVRCF-UHFFFAOYSA-N
XLogP2.68
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[3-(propylcarbamoyl)phenyl]furan-3-carboxamide
CID 106685876
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 4782277
N-[3-(diethylaminomethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 38748212
N-[3-(cyclopropylcarbamoyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17392909
3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050420
3-fluoro-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 46465371
4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[3-(propylcarbamoyl)phenyl]pyrimidine-5-carboxamide
CID 78885788
N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 38324737
3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 86991520
3-(ethylamino)-N-propylbenzamide
CID 43676038
3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride
CID 119283116
N-[3-(diethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 26070791

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[3-(propylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[3-(propylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide (CID 46474322) is 3,5-dimethyl-N-[3-(propylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[3-(propylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[3-(propylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide is CCCNC(=O)c1cccc(NC(=O)c2c(C)noc2C)c1.
What is the InChIKey of 3,5-dimethyl-N-[3-(propylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is CUWDESWIHIVRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-4-8-17-15(20)12-6-5-7-13(9-12)18-16(21)14-10(2)19-22-11(14)3/h5-7,9H,4,8H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of 3,5-dimethyl-N-[3-(propylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[3-(propylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[3-(propylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46474322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).