N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C12H16F3N3O2 — CID 167780473

IUPACN-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCN(CCN(C)C1CC1)C(=O)c1ncoc1C(F)(F)F
InChIInChI=1S/C12H16F3N3O2/c1-17(8-3-4-8)5-6-18(2)11(19)9-10(12(13,14)15)20-7-16-9/h7-8H,3-6H2,1-2H3
InChIKeyQBAKXJNAGZTWNZ-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.86
Rot. Bonds5

About N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 167780473) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID167780473
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC NameN-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCN(CCN(C)C1CC1)C(=O)c1ncoc1C(F)(F)F
InChIInChI=1S/C12H16F3N3O2/c1-17(8-3-4-8)5-6-18(2)11(19)9-10(12(13,14)15)20-7-16-9/h7-8H,3-6H2,1-2H3
InChIKeyQBAKXJNAGZTWNZ-UHFFFAOYSA-N
XLogP1.86
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N,2,5-trimethyl-1,3-oxazole-4-carboxamide
CID 53195169
N-Cyclohexyl-N-[2-(dimethylamino)ethyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 74234028
5-methyl-N-({1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl}methyl)-1,3-oxazole-4-carboxamide
CID 118772730
5-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-oxazole-4-carboxamide
CID 122556326
5-methyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-oxazole-4-carboxamide
CID 132344982
5-methyl-N-[(3-methyloxetan-3-yl)methyl]-1,3-oxazole-4-carboxamide
CID 136525273
[(3R,5S)-3,5-dimethyl-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 136580979
6-Oxa-1-azaspiro[3.3]heptan-1-yl-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
CID 138035908
(5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methanone
CID 164634487
2-Methyl-5-trifluoromethyl-oxazole-4-carboxylic acid methoxy-methyl-amide
CID 58082769
N,N-diethyl-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 13835319
N-(3-amino-2,2-difluoropropyl)-5-methyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 120409769

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 167780473) is N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is CN(CCN(C)C1CC1)C(=O)c1ncoc1C(F)(F)F.
What is the InChIKey of N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is QBAKXJNAGZTWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-17(8-3-4-8)5-6-18(2)11(19)9-10(12(13,14)15)20-7-16-9/h7-8H,3-6H2,1-2H3.
What are the key properties of N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 291.27 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 167780473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).