N-cyclopropyl-3-(4-fluorophenyl)-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide

C15H15FN2O3 — CID 162880928

IUPACN-cyclopropyl-3-(4-fluorophenyl)-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide
SMILESCC(O)c1onc(-c2ccc(F)cc2)c1C(=O)NC1CC1
InChIInChI=1S/C15H15FN2O3/c1-8(19)14-12(15(20)17-11-6-7-11)13(18-21-14)9-2-4-10(16)5-3-9/h2-5,8,11,19H,6-7H2,1H3,(H,17,20)
InChIKeyAAASCOYFECNVPP-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.43
Rot. Bonds4

About N-cyclopropyl-3-(4-fluorophenyl)-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide

N-cyclopropyl-3-(4-fluorophenyl)-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide (PubChem CID 162880928) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-cyclopropyl-3-(4-fluorophenyl)-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(4-fluorophenyl)-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide
PubChem CID162880928
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC NameN-cyclopropyl-3-(4-fluorophenyl)-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide
SMILESCC(O)c1onc(-c2ccc(F)cc2)c1C(=O)NC1CC1
InChIInChI=1S/C15H15FN2O3/c1-8(19)14-12(15(20)17-11-6-7-11)13(18-21-14)9-2-4-10(16)5-3-9/h2-5,8,11,19H,6-7H2,1H3,(H,17,20)
InChIKeyAAASCOYFECNVPP-UHFFFAOYSA-N
XLogP2.43
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N-cyclopentyl-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide
CID 162800200
3-(4-chlorophenyl)-N-cyclohexyl-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide
CID 163091019
3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 100631385
N-cyclopropyl-5-(1-hydroxyethyl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 162800243
3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazole-4-carboxylic acid
CID 124878175
N-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide
CID 162793287
1-[4-[3-(4-fluorophenyl)-5-(1-hydroxyethyl)-1,2-oxazole-4-carbonyl]piperazin-1-yl]ethanone
CID 162913152
3-(4-fluorophenyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-4-carboxamide
CID 39128435
[4-(4-fluorophenyl)piperazin-1-yl]-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazol-4-yl]methanone
CID 162800213
5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-4-carboxamide
CID 162801131
5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carboxylic acid
CID 162957038
N-[1-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide
CID 162822751

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(4-fluorophenyl)-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-3-(4-fluorophenyl)-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide (CID 162880928) is N-cyclopropyl-3-(4-fluorophenyl)-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-(4-fluorophenyl)-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-3-(4-fluorophenyl)-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide is CC(O)c1onc(-c2ccc(F)cc2)c1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-(4-fluorophenyl)-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is AAASCOYFECNVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-8(19)14-12(15(20)17-11-6-7-11)13(18-21-14)9-2-4-10(16)5-3-9/h2-5,8,11,19H,6-7H2,1H3,(H,17,20).
What are the key properties of N-cyclopropyl-3-(4-fluorophenyl)-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide?
N-cyclopropyl-3-(4-fluorophenyl)-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 290.29 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(4-fluorophenyl)-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 162880928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).