N-methyl-2-(2-methylimidazol-1-yl)-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine

C19H21F3N4O — CID 56714212

IUPACN-methyl-2-(2-methylimidazol-1-yl)-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN(C)CCn1ccnc1C
InChIInChI=1S/C19H21F3N4O/c1-13-17(12-25(3)10-11-26-9-8-23-14(26)2)24-18(27-13)15-4-6-16(7-5-15)19(20,21)22/h4-9H,10-12H2,1-3H3
InChIKeyZKVVHLRCDGSTRB-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.31
Rot. Bonds6

About N-methyl-2-(2-methylimidazol-1-yl)-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine

N-methyl-2-(2-methylimidazol-1-yl)-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine (PubChem CID 56714212) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is N-methyl-2-(2-methylimidazol-1-yl)-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methylimidazol-1-yl)-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine
PubChem CID56714212
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC NameN-methyl-2-(2-methylimidazol-1-yl)-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN(C)CCn1ccnc1C
InChIInChI=1S/C19H21F3N4O/c1-13-17(12-25(3)10-11-26-9-8-23-14(26)2)24-18(27-13)15-4-6-16(7-5-15)19(20,21)22/h4-9H,10-12H2,1-3H3
InChIKeyZKVVHLRCDGSTRB-UHFFFAOYSA-N
XLogP4.31
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-(2-methylimidazol-1-yl)-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylimidazol-1-yl)-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine?
The IUPAC name of N-methyl-2-(2-methylimidazol-1-yl)-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine (CID 56714212) is N-methyl-2-(2-methylimidazol-1-yl)-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-methyl-2-(2-methylimidazol-1-yl)-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-methyl-2-(2-methylimidazol-1-yl)-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine is Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN(C)CCn1ccnc1C.
What is the InChIKey of N-methyl-2-(2-methylimidazol-1-yl)-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine?
The InChIKey is ZKVVHLRCDGSTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/c1-13-17(12-25(3)10-11-26-9-8-23-14(26)2)24-18(27-13)15-4-6-16(7-5-15)19(20,21)22/h4-9H,10-12H2,1-3H3.
What are the key properties of N-methyl-2-(2-methylimidazol-1-yl)-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine?
N-methyl-2-(2-methylimidazol-1-yl)-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine has a molecular weight of 378.40 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylimidazol-1-yl)-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 56714212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).