N-[(1S,3R)-2,2-dimethyl-3-[[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(trifluoromethyl)anilino]methyl]cyclobutyl]acetamide

C18H21F3N4O3 — CID 150840106

IUPACN-[(1S,3R)-2,2-dimethyl-3-[[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(trifluoromethyl)anilino]methyl]cyclobutyl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](CNc2cc(-c3n[nH]c(=O)o3)ccc2C(F)(F)F)C1(C)C
InChIInChI=1S/C18H21F3N4O3/c1-9(26)23-14-7-11(17(14,2)3)8-22-13-6-10(15-24-25-16(27)28-15)4-5-12(13)18(19,20)21/h4-6,11,14,22H,7-8H2,1-3H3,(H,23,26)(H,25,27)/t11-,14-/m0/s1
InChIKeyKNUNVCNXWWEBQU-FZMZJTMJSA-N
MW398.39 g/mol
LogP3.01
Rot. Bonds5

About N-[(1S,3R)-2,2-dimethyl-3-[[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(trifluoromethyl)anilino]methyl]cyclobutyl]acetamide

N-[(1S,3R)-2,2-dimethyl-3-[[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(trifluoromethyl)anilino]methyl]cyclobutyl]acetamide (PubChem CID 150840106) has the molecular formula C18H21F3N4O3 and a molecular weight of 398.39 g/mol. Its IUPAC name is N-[(1S,3R)-2,2-dimethyl-3-[[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(trifluoromethyl)anilino]methyl]cyclobutyl]acetamide.

Molecular Properties

Compound NameN-[(1S,3R)-2,2-dimethyl-3-[[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(trifluoromethyl)anilino]methyl]cyclobutyl]acetamide
PubChem CID150840106
Molecular FormulaC18H21F3N4O3
Molecular Weight398.39 g/mol
Exact Mass398.16
IUPAC NameN-[(1S,3R)-2,2-dimethyl-3-[[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(trifluoromethyl)anilino]methyl]cyclobutyl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](CNc2cc(-c3n[nH]c(=O)o3)ccc2C(F)(F)F)C1(C)C
InChIInChI=1S/C18H21F3N4O3/c1-9(26)23-14-7-11(17(14,2)3)8-22-13-6-10(15-24-25-16(27)28-15)4-5-12(13)18(19,20)21/h4-6,11,14,22H,7-8H2,1-3H3,(H,23,26)(H,25,27)/t11-,14-/m0/s1
InChIKeyKNUNVCNXWWEBQU-FZMZJTMJSA-N
XLogP3.01
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(1S,3R)-2,2-dimethyl-3-[[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(trifluoromethyl)anilino]methyl]cyclobutyl]acetamide 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

5-(3-(Pyrrolidin-1-yl)-4-(trifluoromethyl)phenyl)-1,3,4-oxadiazol-2-ol
CID 146438014
N-[3-[4-(4,4-difluorobut-3-enyl)-5-oxo-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 139972600
4-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(trifluoromethyl)anilino]butyl carbamate
CID 151810450
tert-butyl 6-[(1S)-1-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(trifluoromethyl)anilino]ethyl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 152461726
5-[3-[[(1S)-2-fluoro-1-(4-fluoropiperidin-4-yl)ethyl]amino]-4-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
CID 153587105
5-[3-[(4-ethylpiperidin-4-yl)methylamino]-4-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
CID 153587106
5-[3-[(4-fluoropiperidin-4-yl)methylamino]-4-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
CID 153587111
5-[3-(3,9-diazaspiro[5.5]undecan-3-yl)-4-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
CID 153587114
5-[3-[[(3S)-piperidin-3-yl]methylamino]-4-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
CID 153587116
5-[3-[2-[(3R)-3-aminopiperidin-1-yl]ethylamino]-4-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
CID 153587124
tert-butyl (3S,4R)-3-fluoro-4-[(1S)-1-[3-fluoro-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(trifluoromethyl)anilino]ethyl]piperidine-1-carboxylate
CID 153587126
5-[3-[(4-methylpiperidin-4-yl)methylamino]-4-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
CID 153587132

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-2,2-dimethyl-3-[[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(trifluoromethyl)anilino]methyl]cyclobutyl]acetamide?
The IUPAC name of N-[(1S,3R)-2,2-dimethyl-3-[[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(trifluoromethyl)anilino]methyl]cyclobutyl]acetamide (CID 150840106) is N-[(1S,3R)-2,2-dimethyl-3-[[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(trifluoromethyl)anilino]methyl]cyclobutyl]acetamide.
What is the SMILES notation for N-[(1S,3R)-2,2-dimethyl-3-[[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(trifluoromethyl)anilino]methyl]cyclobutyl]acetamide?
The canonical SMILES for N-[(1S,3R)-2,2-dimethyl-3-[[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(trifluoromethyl)anilino]methyl]cyclobutyl]acetamide is CC(=O)N[C@H]1C[C@@H](CNc2cc(-c3n[nH]c(=O)o3)ccc2C(F)(F)F)C1(C)C.
What is the InChIKey of N-[(1S,3R)-2,2-dimethyl-3-[[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(trifluoromethyl)anilino]methyl]cyclobutyl]acetamide?
The InChIKey is KNUNVCNXWWEBQU-FZMZJTMJSA-N. The full InChI is InChI=1S/C18H21F3N4O3/c1-9(26)23-14-7-11(17(14,2)3)8-22-13-6-10(15-24-25-16(27)28-15)4-5-12(13)18(19,20)21/h4-6,11,14,22H,7-8H2,1-3H3,(H,23,26)(H,25,27)/t11-,14-/m0/s1.
What are the key properties of N-[(1S,3R)-2,2-dimethyl-3-[[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(trifluoromethyl)anilino]methyl]cyclobutyl]acetamide?
N-[(1S,3R)-2,2-dimethyl-3-[[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(trifluoromethyl)anilino]methyl]cyclobutyl]acetamide has a molecular weight of 398.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-2,2-dimethyl-3-[[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(trifluoromethyl)anilino]methyl]cyclobutyl]acetamide is sourced from PubChem (CID 150840106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).