N-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide

C17H13F3N2O2 — CID 130347878

IUPACN-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide
SMILESO=C(NCc1cc(-c2ccc(C(F)(F)F)cc2)no1)C1C=CC=C1
InChIInChI=1S/C17H13F3N2O2/c18-17(19,20)13-7-5-11(6-8-13)15-9-14(24-22-15)10-21-16(23)12-3-1-2-4-12/h1-9,12H,10H2,(H,21,23)
InChIKeySHVUNMUDTAHKIB-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.72
Rot. Bonds4

About N-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide

N-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide (PubChem CID 130347878) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is N-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide.

Molecular Properties

Compound NameN-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide
PubChem CID130347878
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC NameN-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide
SMILESO=C(NCc1cc(-c2ccc(C(F)(F)F)cc2)no1)C1C=CC=C1
InChIInChI=1S/C17H13F3N2O2/c18-17(19,20)13-7-5-11(6-8-13)15-9-14(24-22-15)10-21-16(23)12-3-1-2-4-12/h1-9,12H,10H2,(H,21,23)
InChIKeySHVUNMUDTAHKIB-UHFFFAOYSA-N
XLogP3.72
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide?
The IUPAC name of N-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide (CID 130347878) is N-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide.
What is the SMILES notation for N-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide?
The canonical SMILES for N-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide is O=C(NCc1cc(-c2ccc(C(F)(F)F)cc2)no1)C1C=CC=C1.
What is the InChIKey of N-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide?
The InChIKey is SHVUNMUDTAHKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c18-17(19,20)13-7-5-11(6-8-13)15-9-14(24-22-15)10-21-16(23)12-3-1-2-4-12/h1-9,12H,10H2,(H,21,23).
What are the key properties of N-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide?
N-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide has a molecular weight of 334.30 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide is sourced from PubChem (CID 130347878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).