N-[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]-3-methylbutanamide

C24H26N2O2 — CID 141296062

IUPACN-[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]-3-methylbutanamide
SMILESCc1noc(-c2ccc(-c3ccc(C4CC4)cc3)cc2)c1NC(=O)CC(C)C
InChIInChI=1S/C24H26N2O2/c1-15(2)14-22(27)25-23-16(3)26-28-24(23)21-12-10-20(11-13-21)19-8-6-18(7-9-19)17-4-5-17/h6-13,15,17H,4-5,14H2,1-3H3,(H,25,27)
InChIKeyZTAWPCNLDVOIFK-UHFFFAOYSA-N
MW374.48 g/mol
LogP6.18
Rot. Bonds6

About N-[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]-3-methylbutanamide

N-[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]-3-methylbutanamide (PubChem CID 141296062) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]-3-methylbutanamide
PubChem CID141296062
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC NameN-[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]-3-methylbutanamide
SMILESCc1noc(-c2ccc(-c3ccc(C4CC4)cc3)cc2)c1NC(=O)CC(C)C
InChIInChI=1S/C24H26N2O2/c1-15(2)14-22(27)25-23-16(3)26-28-24(23)21-12-10-20(11-13-21)19-8-6-18(7-9-19)17-4-5-17/h6-13,15,17H,4-5,14H2,1-3H3,(H,25,27)
InChIKeyZTAWPCNLDVOIFK-UHFFFAOYSA-N
XLogP6.18
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

carbon dioxide;1-phenylethyl N-[5-[4-(4-cyclopropylcyclohexyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamate
CID 162115929
5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazole-4-carbaldehyde
CID 141297227
N-(2-benzylcyclohexyl)-5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-amine;carbonic acid
CID 122636310
5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-4-(oxiran-2-yl)-1,2-oxazole
CID 141295945
[(1R)-1-phenylethyl] N-[5-(7-cyclopropyl-9,10-dihydrophenanthren-2-yl)-3-methyl-1,2-oxazol-4-yl]carbamate
CID 89449272
[(1R)-1-cyclobutylethyl] N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate
CID 66660618
carbonic acid;3-[6-[[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]amino]-2-pyridinyl]benzamide
CID 122636324
cyclopropylmethyl N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate
CID 66660573
5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-N-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,2-oxazol-4-amine
CID 122636262
ethyl 1-[4-[4-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 66659887
1-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-3-(2,2,2-trifluoroethyl)urea
CID 141295939
3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanamide
CID 126778314

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]-3-methylbutanamide?
The IUPAC name of N-[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]-3-methylbutanamide (CID 141296062) is N-[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]-3-methylbutanamide.
What is the SMILES notation for N-[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]-3-methylbutanamide?
The canonical SMILES for N-[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]-3-methylbutanamide is Cc1noc(-c2ccc(-c3ccc(C4CC4)cc3)cc2)c1NC(=O)CC(C)C.
What is the InChIKey of N-[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]-3-methylbutanamide?
The InChIKey is ZTAWPCNLDVOIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-15(2)14-22(27)25-23-16(3)26-28-24(23)21-12-10-20(11-13-21)19-8-6-18(7-9-19)17-4-5-17/h6-13,15,17H,4-5,14H2,1-3H3,(H,25,27).
What are the key properties of N-[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]-3-methylbutanamide?
N-[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]-3-methylbutanamide has a molecular weight of 374.48 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]-3-methylbutanamide is sourced from PubChem (CID 141296062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).