N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C18H19F3N2O4 — CID 95790526

IUPACN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O4/c1-8-14(9(2)27-23-8)17(26)22-15-12(7-13(24)16(15)25)10-3-5-11(6-4-10)18(19,20)21/h3-6,12-13,15-16,24-25H,7H2,1-2H3,(H,22,26)/t12-,13-,15-,16-/m1/s1
InChIKeyXNRKCRVBCNWOLW-RRCSTGOVSA-N
MW384.35 g/mol
LogP2.32
Rot. Bonds3

About N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 95790526) has the molecular formula C18H19F3N2O4 and a molecular weight of 384.35 g/mol. Its IUPAC name is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID95790526
Molecular FormulaC18H19F3N2O4
Molecular Weight384.35 g/mol
Exact Mass384.13
IUPAC NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O4/c1-8-14(9(2)27-23-8)17(26)22-15-12(7-13(24)16(15)25)10-3-5-11(6-4-10)18(19,20)21/h3-6,12-13,15-16,24-25H,7H2,1-2H3,(H,22,26)/t12-,13-,15-,16-/m1/s1
InChIKeyXNRKCRVBCNWOLW-RRCSTGOVSA-N
XLogP2.32
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 95790526) is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is XNRKCRVBCNWOLW-RRCSTGOVSA-N. The full InChI is InChI=1S/C18H19F3N2O4/c1-8-14(9(2)27-23-8)17(26)22-15-12(7-13(24)16(15)25)10-3-5-11(6-4-10)18(19,20)21/h3-6,12-13,15-16,24-25H,7H2,1-2H3,(H,22,26)/t12-,13-,15-,16-/m1/s1.
What are the key properties of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 384.35 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 95790526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).