4-chloro-5-(3,4-difluorophenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-1,2-oxazole-3-carboxamide

C16H15ClF2N2O3 — CID 25181768

IUPAC4-chloro-5-(3,4-difluorophenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@@H]1CCC[C@H](O)C1)c1noc(-c2ccc(F)c(F)c2)c1Cl
InChIInChI=1S/C16H15ClF2N2O3/c17-13-14(16(23)20-9-2-1-3-10(22)7-9)21-24-15(13)8-4-5-11(18)12(19)6-8/h4-6,9-10,22H,1-3,7H2,(H,20,23)/t9-,10+/m1/s1
InChIKeyHPPGBVIWAXUVQK-ZJUUUORDSA-N
MW356.76 g/mol
LogP3.31
Rot. Bonds3

About 4-chloro-5-(3,4-difluorophenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-1,2-oxazole-3-carboxamide

4-chloro-5-(3,4-difluorophenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-1,2-oxazole-3-carboxamide (PubChem CID 25181768) has the molecular formula C16H15ClF2N2O3 and a molecular weight of 356.76 g/mol. Its IUPAC name is 4-chloro-5-(3,4-difluorophenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-5-(3,4-difluorophenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-1,2-oxazole-3-carboxamide
PubChem CID25181768
Molecular FormulaC16H15ClF2N2O3
Molecular Weight356.76 g/mol
Exact Mass356.07
IUPAC Name4-chloro-5-(3,4-difluorophenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@@H]1CCC[C@H](O)C1)c1noc(-c2ccc(F)c(F)c2)c1Cl
InChIInChI=1S/C16H15ClF2N2O3/c17-13-14(16(23)20-9-2-1-3-10(22)7-9)21-24-15(13)8-4-5-11(18)12(19)6-8/h4-6,9-10,22H,1-3,7H2,(H,20,23)/t9-,10+/m1/s1
InChIKeyHPPGBVIWAXUVQK-ZJUUUORDSA-N
XLogP3.31
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.76
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,3S)-4-chloro-N-(3-hydroxycyclohexyl)-5-(4-(trifluoromethyl)phenyl)isoxazole-3-carboxamide
CID 25181771
4-chloro-5-(4-chloro-3-fluorophenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-1,2-oxazole-3-carboxamide
CID 25181773
4-chloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[(1R,3S)-3-hydroxycyclohexyl]-1,2-oxazole-3-carboxamide
CID 25182447
N-[(1R,3S)-3-hydroxycyclohexyl]-4-[(2-methylpropylamino)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 52918271
N-[(1R,3S)-3-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]-4-[[[(2S)-1,1,1-trifluoropropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxamide
CID 54586192
5-(2-chlorophenyl)-N-cyclohexyl-3-isoxazolecarboxamide
CID 1093865
N-cyclohexyl-5-(4-fluorophenyl)-3-isoxazolecarboxamide
CID 15992620
5-(4-chlorophenyl)-N-cyclohexyl-3-isoxazolecarboxamide
CID 17252724
4-Chloro-n-cyclopentyl-5-(4-(trifluoromethyl)phenyl)isoxazole-3-carboxamide
CID 25147549
4-Chloro-5-(4-(trifluoromethyl)phenyl)-N-(3-hydroxyphenyl)isoxazole-3-carboxamide
CID 25181624
4-Chloro-5-(4-chlorophenyl)-N-((1R,3S)-3-hydroxycyclohexyl)isoxazole-3-carboxamide
CID 25181625
(1R,3S)-4-chloro-N-(3-hydroxycyclopentyl)-5-(4-(trifluoromethyl)phenyl)isoxazole-3-carboxamide
CID 25181770

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3,4-difluorophenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-chloro-5-(3,4-difluorophenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-1,2-oxazole-3-carboxamide (CID 25181768) is 4-chloro-5-(3,4-difluorophenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-chloro-5-(3,4-difluorophenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-chloro-5-(3,4-difluorophenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-1,2-oxazole-3-carboxamide is O=C(N[C@@H]1CCC[C@H](O)C1)c1noc(-c2ccc(F)c(F)c2)c1Cl.
What is the InChIKey of 4-chloro-5-(3,4-difluorophenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-1,2-oxazole-3-carboxamide?
The InChIKey is HPPGBVIWAXUVQK-ZJUUUORDSA-N. The full InChI is InChI=1S/C16H15ClF2N2O3/c17-13-14(16(23)20-9-2-1-3-10(22)7-9)21-24-15(13)8-4-5-11(18)12(19)6-8/h4-6,9-10,22H,1-3,7H2,(H,20,23)/t9-,10+/m1/s1.
What are the key properties of 4-chloro-5-(3,4-difluorophenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-1,2-oxazole-3-carboxamide?
4-chloro-5-(3,4-difluorophenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-1,2-oxazole-3-carboxamide has a molecular weight of 356.76 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3,4-difluorophenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 25181768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).