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

C18H19F3N2O4 — CID 46865592

IUPACN-[(1R,3S)-3-hydroxycyclohexyl]-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@@H]1CCC[C@H](O)C1)c1noc(-c2ccc(C(F)(F)F)cc2)c1CO
InChIInChI=1S/C18H19F3N2O4/c19-18(20,21)11-6-4-10(5-7-11)16-14(9-24)15(23-27-16)17(26)22-12-2-1-3-13(25)8-12/h4-7,12-13,24-25H,1-3,8-9H2,(H,22,26)/t12-,13+/m1/s1
InChIKeyGIJZJSDRDUSCSE-OLZOCXBDSA-N
MW384.35 g/mol
LogP2.89
Rot. Bonds4

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

N-[(1R,3S)-3-hydroxycyclohexyl]-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 46865592) has the molecular formula C18H19F3N2O4 and a molecular weight of 384.35 g/mol. Its IUPAC name is N-[(1R,3S)-3-hydroxycyclohexyl]-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-hydroxycyclohexyl]-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID46865592
Molecular FormulaC18H19F3N2O4
Molecular Weight384.35 g/mol
Exact Mass384.13
IUPAC NameN-[(1R,3S)-3-hydroxycyclohexyl]-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@@H]1CCC[C@H](O)C1)c1noc(-c2ccc(C(F)(F)F)cc2)c1CO
InChIInChI=1S/C18H19F3N2O4/c19-18(20,21)11-6-4-10(5-7-11)16-14(9-24)15(23-27-16)17(26)22-12-2-1-3-13(25)8-12/h4-7,12-13,24-25H,1-3,8-9H2,(H,22,26)/t12-,13+/m1/s1
InChIKeyGIJZJSDRDUSCSE-OLZOCXBDSA-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-[(1R,3S)-3-hydroxycyclohexyl]-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1R,3S)-3-hydroxycyclohexyl]-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 46865592) is N-[(1R,3S)-3-hydroxycyclohexyl]-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1R,3S)-3-hydroxycyclohexyl]-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1R,3S)-3-hydroxycyclohexyl]-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is O=C(N[C@@H]1CCC[C@H](O)C1)c1noc(-c2ccc(C(F)(F)F)cc2)c1CO.
What is the InChIKey of N-[(1R,3S)-3-hydroxycyclohexyl]-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is GIJZJSDRDUSCSE-OLZOCXBDSA-N. The full InChI is InChI=1S/C18H19F3N2O4/c19-18(20,21)11-6-4-10(5-7-11)16-14(9-24)15(23-27-16)17(26)22-12-2-1-3-13(25)8-12/h4-7,12-13,24-25H,1-3,8-9H2,(H,22,26)/t12-,13+/m1/s1.
What are the key properties of N-[(1R,3S)-3-hydroxycyclohexyl]-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
N-[(1R,3S)-3-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-[(1R,3S)-3-hydroxycyclohexyl]-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46865592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).