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

C16H14ClF3N2O3 — CID 25181911

IUPAC4-chloro-N-[(1S,3R)-3-hydroxycyclopentyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@H]1CC[C@@H](O)C1)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl
InChIInChI=1S/C16H14ClF3N2O3/c17-12-13(15(24)21-10-5-6-11(23)7-10)22-25-14(12)8-1-3-9(4-2-8)16(18,19)20/h1-4,10-11,23H,5-7H2,(H,21,24)/t10-,11+/m0/s1
InChIKeyOIGAFTWBRBUMAJ-WDEREUQCSA-N
MW374.75 g/mol
LogP3.66
Rot. Bonds3

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

4-chloro-N-[(1S,3R)-3-hydroxycyclopentyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 25181911) has the molecular formula C16H14ClF3N2O3 and a molecular weight of 374.75 g/mol. Its IUPAC name is 4-chloro-N-[(1S,3R)-3-hydroxycyclopentyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(1S,3R)-3-hydroxycyclopentyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID25181911
Molecular FormulaC16H14ClF3N2O3
Molecular Weight374.75 g/mol
Exact Mass374.06
IUPAC Name4-chloro-N-[(1S,3R)-3-hydroxycyclopentyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@H]1CC[C@@H](O)C1)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl
InChIInChI=1S/C16H14ClF3N2O3/c17-12-13(15(24)21-10-5-6-11(23)7-10)22-25-14(12)8-1-3-9(4-2-8)16(18,19)20/h1-4,10-11,23H,5-7H2,(H,21,24)/t10-,11+/m0/s1
InChIKeyOIGAFTWBRBUMAJ-WDEREUQCSA-N
XLogP3.66
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.75
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S,3R)-3-hydroxycyclopentyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-chloro-N-[(1S,3R)-3-hydroxycyclopentyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 25181911) is 4-chloro-N-[(1S,3R)-3-hydroxycyclopentyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(1S,3R)-3-hydroxycyclopentyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(1S,3R)-3-hydroxycyclopentyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is O=C(N[C@H]1CC[C@@H](O)C1)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl.
What is the InChIKey of 4-chloro-N-[(1S,3R)-3-hydroxycyclopentyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is OIGAFTWBRBUMAJ-WDEREUQCSA-N. The full InChI is InChI=1S/C16H14ClF3N2O3/c17-12-13(15(24)21-10-5-6-11(23)7-10)22-25-14(12)8-1-3-9(4-2-8)16(18,19)20/h1-4,10-11,23H,5-7H2,(H,21,24)/t10-,11+/m0/s1.
What are the key properties of 4-chloro-N-[(1S,3R)-3-hydroxycyclopentyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
4-chloro-N-[(1S,3R)-3-hydroxycyclopentyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 374.75 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S,3R)-3-hydroxycyclopentyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 25181911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).