3-(4-methylphenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide

C14H18N2O2 — CID 83288373

IUPAC3-(4-methylphenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCCNC(=O)C1CC(c2ccc(C)cc2)=NO1
InChIInChI=1S/C14H18N2O2/c1-3-8-15-14(17)13-9-12(16-18-13)11-6-4-10(2)5-7-11/h4-7,13H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyUBYNAJWCXNQGBX-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.01
Rot. Bonds4

About 3-(4-methylphenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(4-methylphenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 83288373) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID83288373
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-(4-methylphenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCCNC(=O)C1CC(c2ccc(C)cc2)=NO1
InChIInChI=1S/C14H18N2O2/c1-3-8-15-14(17)13-9-12(16-18-13)11-6-4-10(2)5-7-11/h4-7,13H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyUBYNAJWCXNQGBX-UHFFFAOYSA-N
XLogP2.01
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-N-butyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503762
3-(4-chlorophenyl)-N-[3-(ethylamino)-3-oxopropyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 24712158
(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 29078820
(5S)-3-(4-fluorophenyl)-N-(2-methoxyethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7462862
(5S)-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503587
3-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 24712265
(5S)-3-(2,5-dimethoxyphenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503901
3-(4-fluorophenyl)-N-[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42816609
(5S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503549
N-[2-(2-methylprop-2-enoxy)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 115700378
2-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]-3-phenylpropanoic acid
CID 78600802
3-(4-acetamidophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 11673880

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 83288373) is 3-(4-methylphenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide is CCCNC(=O)C1CC(c2ccc(C)cc2)=NO1.
What is the InChIKey of 3-(4-methylphenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is UBYNAJWCXNQGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-8-15-14(17)13-9-12(16-18-13)11-6-4-10(2)5-7-11/h4-7,13H,3,8-9H2,1-2H3,(H,15,17).
What are the key properties of 3-(4-methylphenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(4-methylphenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 83288373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).