[1-[2-fluoro-5-(3,3,3-trifluoropropylcarbamoyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamic acid

C16H16F4N4O4 — CID 146469114

IUPAC[1-[2-fluoro-5-(3,3,3-trifluoropropylcarbamoyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamic acid
SMILESCc1nnc(CC(NC(=O)O)c2cc(C(=O)NCCC(F)(F)F)ccc2F)o1
InChIInChI=1S/C16H16F4N4O4/c1-8-23-24-13(28-8)7-12(22-15(26)27)10-6-9(2-3-11(10)17)14(25)21-5-4-16(18,19)20/h2-3,6,12,22H,4-5,7H2,1H3,(H,21,25)(H,26,27)
InChIKeyKRANSCOVIKUTMI-UHFFFAOYSA-N
MW404.32 g/mol
LogP2.75
Rot. Bonds7

About [1-[2-fluoro-5-(3,3,3-trifluoropropylcarbamoyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamic acid

[1-[2-fluoro-5-(3,3,3-trifluoropropylcarbamoyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamic acid (PubChem CID 146469114) has the molecular formula C16H16F4N4O4 and a molecular weight of 404.32 g/mol. Its IUPAC name is [1-[2-fluoro-5-(3,3,3-trifluoropropylcarbamoyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamic acid.

Molecular Properties

Compound Name[1-[2-fluoro-5-(3,3,3-trifluoropropylcarbamoyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamic acid
PubChem CID146469114
Molecular FormulaC16H16F4N4O4
Molecular Weight404.32 g/mol
Exact Mass404.11
IUPAC Name[1-[2-fluoro-5-(3,3,3-trifluoropropylcarbamoyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamic acid
SMILESCc1nnc(CC(NC(=O)O)c2cc(C(=O)NCCC(F)(F)F)ccc2F)o1
InChIInChI=1S/C16H16F4N4O4/c1-8-23-24-13(28-8)7-12(22-15(26)27)10-6-9(2-3-11(10)17)14(25)21-5-4-16(18,19)20/h2-3,6,12,22H,4-5,7H2,1H3,(H,21,25)(H,26,27)
InChIKeyKRANSCOVIKUTMI-UHFFFAOYSA-N
XLogP2.75
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.32
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [1-[2-fluoro-5-(3,3,3-trifluoropropylcarbamoyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-3-sulfanyl-N-(3,3,3-trifluoropropyl)benzamide
CID 107029487
1-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
CID 146469143
3,4-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318313
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylbenzamide
CID 110320276
N-(3,3-dimethylbutyl)-4-fluoro-3-methylbenzamide
CID 115611491
3,4,5-trifluoro-N-(3,3,3-trifluoropropyl)benzamide
CID 55175919
3-bromo-4-fluoro-N-(5,5,5-trifluoropentyl)benzamide
CID 103839347
[1-[5-(4-chlorophenyl)-2-fluorophenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate
CID 146469116
1-[2-fluoro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
CID 146469152
[2,4-bis(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-bis[2-methyl-5-[4-(trifluoromethyl)phenyl]phenyl]butyl]carbamic acid
CID 166664859
4-bromo-3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)benzamide
CID 81433410
N-(4-amino-4-sulfanylidenebutyl)-4-fluoro-3-methylbenzamide
CID 63210296

Frequently Asked Questions

What is the IUPAC name of [1-[2-fluoro-5-(3,3,3-trifluoropropylcarbamoyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamic acid?
The IUPAC name of [1-[2-fluoro-5-(3,3,3-trifluoropropylcarbamoyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamic acid (CID 146469114) is [1-[2-fluoro-5-(3,3,3-trifluoropropylcarbamoyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamic acid.
What is the SMILES notation for [1-[2-fluoro-5-(3,3,3-trifluoropropylcarbamoyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamic acid?
The canonical SMILES for [1-[2-fluoro-5-(3,3,3-trifluoropropylcarbamoyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamic acid is Cc1nnc(CC(NC(=O)O)c2cc(C(=O)NCCC(F)(F)F)ccc2F)o1.
What is the InChIKey of [1-[2-fluoro-5-(3,3,3-trifluoropropylcarbamoyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamic acid?
The InChIKey is KRANSCOVIKUTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F4N4O4/c1-8-23-24-13(28-8)7-12(22-15(26)27)10-6-9(2-3-11(10)17)14(25)21-5-4-16(18,19)20/h2-3,6,12,22H,4-5,7H2,1H3,(H,21,25)(H,26,27).
What are the key properties of [1-[2-fluoro-5-(3,3,3-trifluoropropylcarbamoyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamic acid?
[1-[2-fluoro-5-(3,3,3-trifluoropropylcarbamoyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamic acid has a molecular weight of 404.32 g/mol, XLogP of 2.75, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-fluoro-5-(3,3,3-trifluoropropylcarbamoyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamic acid is sourced from PubChem (CID 146469114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).