N-cyclopropyl-2-methyl-N-[1-(4-phenylphenyl)ethyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C23H21F3N2O2 — CID 44816581

IUPACN-cyclopropyl-2-methyl-N-[1-(4-phenylphenyl)ethyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)N(C2CC2)C(C)c2ccc(-c3ccccc3)cc2)c(C(F)(F)F)o1
InChIInChI=1S/C23H21F3N2O2/c1-14(16-8-10-18(11-9-16)17-6-4-3-5-7-17)28(19-12-13-19)22(29)20-21(23(24,25)26)30-15(2)27-20/h3-11,14,19H,12-13H2,1-2H3
InChIKeyXDBWVVAHMDWSIA-UHFFFAOYSA-N
MW414.43 g/mol
LogP6.03
Rot. Bonds5

About N-cyclopropyl-2-methyl-N-[1-(4-phenylphenyl)ethyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

N-cyclopropyl-2-methyl-N-[1-(4-phenylphenyl)ethyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 44816581) has the molecular formula C23H21F3N2O2 and a molecular weight of 414.43 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-N-[1-(4-phenylphenyl)ethyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-N-[1-(4-phenylphenyl)ethyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID44816581
Molecular FormulaC23H21F3N2O2
Molecular Weight414.43 g/mol
Exact Mass414.16
IUPAC NameN-cyclopropyl-2-methyl-N-[1-(4-phenylphenyl)ethyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)N(C2CC2)C(C)c2ccc(-c3ccccc3)cc2)c(C(F)(F)F)o1
InChIInChI=1S/C23H21F3N2O2/c1-14(16-8-10-18(11-9-16)17-6-4-3-5-7-17)28(19-12-13-19)22(29)20-21(23(24,25)26)30-15(2)27-20/h3-11,14,19H,12-13H2,1-2H3
InChIKeyXDBWVVAHMDWSIA-UHFFFAOYSA-N
XLogP6.03
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.43
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-phenacyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 2726935
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-5-methylfuran-2-carboxamide
CID 71684755
(3R)-4,4,4-trifluoro-3-methyl-2-(4-phenylphenyl)butanoic acid
CID 151930463
(2S)-2-amino-N-cyclopropyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methylbutanamide
CID 96554775
N-cyclopropyl-N-(4-phenylcyclohexyl)-4-(1,1,1-trifluoropropan-2-yl)benzamide
CID 143379429
2-[cyclopropyl-(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 119202990
N-cyclopropyl-2-methyl-3-(methylamino)-N-(1-naphthalen-2-ylethyl)propanamide;hydrochloride
CID 119749339
3-[cyclopropyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 120535407
2-phenyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 57394997
N-(2-oxothiolan-3-yl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 5086181
methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(trifluoromethyl)morpholine-2-carbonyl]amino]ethyl]-2-phenylimidazol-1-yl]propyl]carbamate
CID 118313172
2-amino-N-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 66568506

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-N-[1-(4-phenylphenyl)ethyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-methyl-N-[1-(4-phenylphenyl)ethyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 44816581) is N-cyclopropyl-2-methyl-N-[1-(4-phenylphenyl)ethyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-N-[1-(4-phenylphenyl)ethyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-methyl-N-[1-(4-phenylphenyl)ethyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)N(C2CC2)C(C)c2ccc(-c3ccccc3)cc2)c(C(F)(F)F)o1.
What is the InChIKey of N-cyclopropyl-2-methyl-N-[1-(4-phenylphenyl)ethyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is XDBWVVAHMDWSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O2/c1-14(16-8-10-18(11-9-16)17-6-4-3-5-7-17)28(19-12-13-19)22(29)20-21(23(24,25)26)30-15(2)27-20/h3-11,14,19H,12-13H2,1-2H3.
What are the key properties of N-cyclopropyl-2-methyl-N-[1-(4-phenylphenyl)ethyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-cyclopropyl-2-methyl-N-[1-(4-phenylphenyl)ethyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 414.43 g/mol, XLogP of 6.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-N-[1-(4-phenylphenyl)ethyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 44816581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).