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

C20H25FN2O3 — CID 100630418

IUPACN-cyclohexyl-N-ethyl-3-(4-fluorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carboxamide
SMILESCCN(C(=O)c1onc(-c2ccc(F)cc2)c1[C@H](C)O)C1CCCCC1
InChIInChI=1S/C20H25FN2O3/c1-3-23(16-7-5-4-6-8-16)20(25)19-17(13(2)24)18(22-26-19)14-9-11-15(21)12-10-14/h9-13,16,24H,3-8H2,1-2H3/t13-/m0/s1
InChIKeyZWVGWAHWVVSQQI-ZDUSSCGKSA-N
MW360.43 g/mol
LogP4.33
Rot. Bonds5

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

N-cyclohexyl-N-ethyl-3-(4-fluorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carboxamide (PubChem CID 100630418) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-3-(4-fluorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-3-(4-fluorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carboxamide
PubChem CID100630418
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC NameN-cyclohexyl-N-ethyl-3-(4-fluorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carboxamide
SMILESCCN(C(=O)c1onc(-c2ccc(F)cc2)c1[C@H](C)O)C1CCCCC1
InChIInChI=1S/C20H25FN2O3/c1-3-23(16-7-5-4-6-8-16)20(25)19-17(13(2)24)18(22-26-19)14-9-11-15(21)12-10-14/h9-13,16,24H,3-8H2,1-2H3/t13-/m0/s1
InChIKeyZWVGWAHWVVSQQI-ZDUSSCGKSA-N
XLogP4.33
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-4-[(1S)-1-hydroxyethyl]-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide
CID 100630633
[3-(4-fluorophenyl)-4-(1-hydroxyethyl)-1,2-oxazol-5-yl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 162800426
N,N-diethyl-4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 162958472
1-[4-[3-(4-fluorophenyl)-4-(1-hydroxyethyl)-1,2-oxazole-5-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 162803835
[3-(4-fluorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 100630826
N-[1-[3-(4-fluorophenyl)-4-(1-hydroxyethyl)-1,2-oxazole-5-carbonyl]pyrrolidin-3-yl]acetamide
CID 162823890
3-(4-fluorophenyl)-4-(1-hydroxyethyl)-N-(1-phenylethyl)-1,2-oxazole-5-carboxamide
CID 162800225
N-cyclopentyl-N-ethyl-2-(4-fluorophenyl)acetamide
CID 86926966
[3-(4-fluorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 100630711
3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carboxamide
CID 124874631
N,N-dicyclohexyl-4-fluorobenzamide
CID 784952
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 78853637

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-3-(4-fluorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-N-ethyl-3-(4-fluorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carboxamide (CID 100630418) is N-cyclohexyl-N-ethyl-3-(4-fluorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-3-(4-fluorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-3-(4-fluorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carboxamide is CCN(C(=O)c1onc(-c2ccc(F)cc2)c1[C@H](C)O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-3-(4-fluorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is ZWVGWAHWVVSQQI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H25FN2O3/c1-3-23(16-7-5-4-6-8-16)20(25)19-17(13(2)24)18(22-26-19)14-9-11-15(21)12-10-14/h9-13,16,24H,3-8H2,1-2H3/t13-/m0/s1.
What are the key properties of N-cyclohexyl-N-ethyl-3-(4-fluorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carboxamide?
N-cyclohexyl-N-ethyl-3-(4-fluorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 360.43 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-3-(4-fluorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 100630418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).