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

C16H16Cl2N2O3 — CID 25181625

IUPAC4-chloro-5-(4-chlorophenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@@H]1CCC[C@H](O)C1)c1noc(-c2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C16H16Cl2N2O3/c17-10-6-4-9(5-7-10)15-13(18)14(20-23-15)16(22)19-11-2-1-3-12(21)8-11/h4-7,11-12,21H,1-3,8H2,(H,19,22)/t11-,12+/m1/s1
InChIKeyBSERHDVDNAHWNO-NEPJUHHUSA-N
MW355.22 g/mol
LogP3.68
Rot. Bonds3

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

4-chloro-5-(4-chlorophenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-1,2-oxazole-3-carboxamide (PubChem CID 25181625) has the molecular formula C16H16Cl2N2O3 and a molecular weight of 355.22 g/mol. Its IUPAC name is 4-chloro-5-(4-chlorophenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-5-(4-chlorophenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-1,2-oxazole-3-carboxamide
PubChem CID25181625
Molecular FormulaC16H16Cl2N2O3
Molecular Weight355.22 g/mol
Exact Mass354.05
IUPAC Name4-chloro-5-(4-chlorophenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@@H]1CCC[C@H](O)C1)c1noc(-c2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C16H16Cl2N2O3/c17-10-6-4-9(5-7-10)15-13(18)14(20-23-15)16(22)19-11-2-1-3-12(21)8-11/h4-7,11-12,21H,1-3,8H2,(H,19,22)/t11-,12+/m1/s1
InChIKeyBSERHDVDNAHWNO-NEPJUHHUSA-N
XLogP3.68
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 3243805
(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
N-cyclopentyl-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
CID 1093826
5-(2-chlorophenyl)-N-cyclohexyl-3-isoxazolecarboxamide
CID 1093865
5-(4-chlorophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide
CID 6619223
5-(2-chlorophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide
CID 1093861
5-(4-chlorophenyl)-N-cyclohexyl-3-isoxazolecarboxamide
CID 17252724
5-(2,4-dichlorophenyl)-N-(tetrahydro-2-furanylmethyl)-3-isoxazolecarboxamide
CID 3158169

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(4-chlorophenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-chloro-5-(4-chlorophenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-1,2-oxazole-3-carboxamide (CID 25181625) is 4-chloro-5-(4-chlorophenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-chloro-5-(4-chlorophenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-chloro-5-(4-chlorophenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-1,2-oxazole-3-carboxamide is O=C(N[C@@H]1CCC[C@H](O)C1)c1noc(-c2ccc(Cl)cc2)c1Cl.
What is the InChIKey of 4-chloro-5-(4-chlorophenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-1,2-oxazole-3-carboxamide?
The InChIKey is BSERHDVDNAHWNO-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3/c17-10-6-4-9(5-7-10)15-13(18)14(20-23-15)16(22)19-11-2-1-3-12(21)8-11/h4-7,11-12,21H,1-3,8H2,(H,19,22)/t11-,12+/m1/s1.
What are the key properties of 4-chloro-5-(4-chlorophenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-1,2-oxazole-3-carboxamide?
4-chloro-5-(4-chlorophenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-1,2-oxazole-3-carboxamide has a molecular weight of 355.22 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-chlorophenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 25181625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).