3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-N-propan-2-yl-1,2-oxazole-4-carboxamide

C15H17FN2O3 — CID 100631385

IUPAC3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-N-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(-c2ccc(F)cc2)noc1[C@H](C)O
InChIInChI=1S/C15H17FN2O3/c1-8(2)17-15(20)12-13(18-21-14(12)9(3)19)10-4-6-11(16)7-5-10/h4-9,19H,1-3H3,(H,17,20)/t9-/m0/s1
InChIKeyUAWBNFWJINZXBH-VIFPVBQESA-N
MW292.31 g/mol
LogP2.67
Rot. Bonds4

About 3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-N-propan-2-yl-1,2-oxazole-4-carboxamide

3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-N-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 100631385) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-N-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-N-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID100631385
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-N-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(-c2ccc(F)cc2)noc1[C@H](C)O
InChIInChI=1S/C15H17FN2O3/c1-8(2)17-15(20)12-13(18-21-14(12)9(3)19)10-4-6-11(16)7-5-10/h4-9,19H,1-3H3,(H,17,20)/t9-/m0/s1
InChIKeyUAWBNFWJINZXBH-VIFPVBQESA-N
XLogP2.67
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazole-4-carboxylic acid
CID 124878175
N-cyclopropyl-3-(4-fluorophenyl)-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide
CID 162880928
5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-4-carboxamide
CID 162801131
1-[4-[3-(4-fluorophenyl)-5-(1-hydroxyethyl)-1,2-oxazole-4-carbonyl]piperazin-1-yl]ethanone
CID 162913152
3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-[(1R)-1-phenylethyl]-1,2-oxazole-4-carboxamide
CID 124875243
3-(4-chlorophenyl)-N-cyclopentyl-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide
CID 162800200
3-(4-fluorophenyl)-5-[(1R)-1-(phenylcarbamoylamino)ethyl]-1,2-oxazole-4-carboxylic acid
CID 75368379
3-(4-chlorophenyl)-N-cyclohexyl-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide
CID 163091019
5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carboxylic acid
CID 162957038
3-(4-fluorophenyl)-5-[1-(pyridine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid
CID 162798900
[4-(4-fluorophenyl)piperazin-1-yl]-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazol-4-yl]methanone
CID 162800213
3-(4-fluorophenyl)-5-methyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1,2-oxazole-4-carboxamide
CID 35261820

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-N-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-N-propan-2-yl-1,2-oxazole-4-carboxamide (CID 100631385) is 3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-N-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-N-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-N-propan-2-yl-1,2-oxazole-4-carboxamide is CC(C)NC(=O)c1c(-c2ccc(F)cc2)noc1[C@H](C)O.
What is the InChIKey of 3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-N-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is UAWBNFWJINZXBH-VIFPVBQESA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-8(2)17-15(20)12-13(18-21-14(12)9(3)19)10-4-6-11(16)7-5-10/h4-9,19H,1-3H3,(H,17,20)/t9-/m0/s1.
What are the key properties of 3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-N-propan-2-yl-1,2-oxazole-4-carboxamide?
3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-N-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 292.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-N-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 100631385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).