N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide

C20H17FN2O2 — CID 39447049

IUPACN-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(c1cc(-c2ccccc2)on1)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C20H17FN2O2/c21-16-8-6-14(7-9-16)13-23(17-10-11-17)20(24)18-12-19(25-22-18)15-4-2-1-3-5-15/h1-9,12,17H,10-11,13H2
InChIKeyLOIATYCXQVDACW-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.29
Rot. Bonds5

About N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 39447049) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID39447049
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC NameN-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(c1cc(-c2ccccc2)on1)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C20H17FN2O2/c21-16-8-6-14(7-9-16)13-23(17-10-11-17)20(24)18-12-19(25-22-18)15-4-2-1-3-5-15/h1-9,12,17H,10-11,13H2
InChIKeyLOIATYCXQVDACW-UHFFFAOYSA-N
XLogP4.29
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-methylphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 42279888
N-cyclopentyl-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 46970583
N-[[4-(diethylamino)phenyl]methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 42279896
N-cyclopropyl-5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 18133644
4-chloro-N-[(4-fluorophenyl)methyl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 51070844
(4-fluorophenyl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 10858449
N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 70743438
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55757023
N-[(3,4-dimethoxyphenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 17011050
N-[(4-ethylphenyl)methyl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 39428449
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 38092404
2-(4-fluorophenyl)-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]acetamide
CID 110314644

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 39447049) is N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(c1cc(-c2ccccc2)on1)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is LOIATYCXQVDACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c21-16-8-6-14(7-9-16)13-23(17-10-11-17)20(24)18-12-19(25-22-18)15-4-2-1-3-5-15/h1-9,12,17H,10-11,13H2.
What are the key properties of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 39447049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).