CID 74539384

C17H12F3N2O2 — CID 74539384

IUPAC—
SMILESO=C(NCc1cc(-c2ccc(C(F)(F)F)cc2)no1)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C17H12F3N2O2/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/h1-9H,10H2,(H,21,23)
InChIKeyPCTZJFVBXMGFHH-UHFFFAOYSA-N
MW333.29 g/mol
LogP3.38
Rot. Bonds4

About CID 74539384

CID 74539384 (PubChem CID 74539384) has the molecular formula C17H12F3N2O2 and a molecular weight of 333.29 g/mol.

Molecular Properties

Compound NameCID 74539384
PubChem CID74539384
Molecular FormulaC17H12F3N2O2
Molecular Weight333.29 g/mol
Exact Mass333.09
IUPAC Name—
SMILESO=C(NCc1cc(-c2ccc(C(F)(F)F)cc2)no1)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C17H12F3N2O2/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/h1-9H,10H2,(H,21,23)
InChIKeyPCTZJFVBXMGFHH-UHFFFAOYSA-N
XLogP3.38
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide
CID 130347878
N-[[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide
CID 130348152
6-pyridin-4-yl-N-[[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-5-yl]methyl]pyrimidine-4-carboxamide
CID 137249493
N-[(3-phenyl-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide
CID 71895813
3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-5-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole
CID 142762879
[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate
CID 159586693
4-[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
CID 164585602
N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 125173596
1-tert-butyl-5-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide
CID 47056333
2-chloro-N-[4-[[(3-phenyl-1,2-oxazol-5-yl)methylamino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 44815946
N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]pyridine-2-carboxamide
CID 46949493
5-(4-tert-butylphenyl)-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 46096938

Frequently Asked Questions

What is the IUPAC name of CID 74539384?
The IUPAC name of CID 74539384 (CID 74539384) is not available.
What is the SMILES notation for CID 74539384?
The canonical SMILES for CID 74539384 is O=C(NCc1cc(-c2ccc(C(F)(F)F)cc2)no1)[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 74539384?
The InChIKey is PCTZJFVBXMGFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N2O2/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/h1-9H,10H2,(H,21,23).
What are the key properties of CID 74539384?
CID 74539384 has a molecular weight of 333.29 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 74539384 is sourced from PubChem (CID 74539384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).