N-(4-hydroxycyclohexyl)-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide

C18H19F3N2O4 — CID 56670094

IUPACN-(4-hydroxycyclohexyl)-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1noc(-c2ccc(C(F)(F)F)cc2)c1CO
InChIInChI=1S/C18H19F3N2O4/c19-18(20,21)11-3-1-10(2-4-11)16-14(9-24)15(23-27-16)17(26)22-12-5-7-13(25)8-6-12/h1-4,12-13,24-25H,5-9H2,(H,22,26)
InChIKeyMXHMKKKHCBXXQX-UHFFFAOYSA-N
MW384.35 g/mol
LogP2.89
Rot. Bonds4

About N-(4-hydroxycyclohexyl)-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide

N-(4-hydroxycyclohexyl)-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 56670094) has the molecular formula C18H19F3N2O4 and a molecular weight of 384.35 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID56670094
Molecular FormulaC18H19F3N2O4
Molecular Weight384.35 g/mol
Exact Mass384.13
IUPAC NameN-(4-hydroxycyclohexyl)-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1noc(-c2ccc(C(F)(F)F)cc2)c1CO
InChIInChI=1S/C18H19F3N2O4/c19-18(20,21)11-3-1-10(2-4-11)16-14(9-24)15(23-27-16)17(26)22-12-5-7-13(25)8-6-12/h1-4,12-13,24-25H,5-9H2,(H,22,26)
InChIKeyMXHMKKKHCBXXQX-UHFFFAOYSA-N
XLogP2.89
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 56670094) is N-(4-hydroxycyclohexyl)-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is O=C(NC1CCC(O)CC1)c1noc(-c2ccc(C(F)(F)F)cc2)c1CO.
What is the InChIKey of N-(4-hydroxycyclohexyl)-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is MXHMKKKHCBXXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4/c19-18(20,21)11-3-1-10(2-4-11)16-14(9-24)15(23-27-16)17(26)22-12-5-7-13(25)8-6-12/h1-4,12-13,24-25H,5-9H2,(H,22,26).
What are the key properties of N-(4-hydroxycyclohexyl)-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
N-(4-hydroxycyclohexyl)-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 384.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56670094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).