N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-N-(quinolin-3-ylmethyl)-1,3-oxazol-2-amine

C23H17F6N3O — CID 140623432

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-N-(quinolin-3-ylmethyl)-1,3-oxazol-2-amine
SMILESCc1coc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cnc3ccccc3c2)n1
InChIInChI=1S/C23H17F6N3O/c1-14-13-33-21(31-14)32(12-16-6-17-4-2-3-5-20(17)30-10-16)11-15-7-18(22(24,25)26)9-19(8-15)23(27,28)29/h2-10,13H,11-12H2,1H3
InChIKeyKITJHRGNQDVAQY-UHFFFAOYSA-N
MW465.40 g/mol
LogP6.78
Rot. Bonds5

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-N-(quinolin-3-ylmethyl)-1,3-oxazol-2-amine

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-N-(quinolin-3-ylmethyl)-1,3-oxazol-2-amine (PubChem CID 140623432) has the molecular formula C23H17F6N3O and a molecular weight of 465.40 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-N-(quinolin-3-ylmethyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-N-(quinolin-3-ylmethyl)-1,3-oxazol-2-amine
PubChem CID140623432
Molecular FormulaC23H17F6N3O
Molecular Weight465.40 g/mol
Exact Mass465.13
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-N-(quinolin-3-ylmethyl)-1,3-oxazol-2-amine
SMILESCc1coc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cnc3ccccc3c2)n1
InChIInChI=1S/C23H17F6N3O/c1-14-13-33-21(31-14)32(12-16-6-17-4-2-3-5-20(17)30-10-16)11-15-7-18(22(24,25)26)9-19(8-15)23(27,28)29/h2-10,13H,11-12H2,1H3
InChIKeyKITJHRGNQDVAQY-UHFFFAOYSA-N
XLogP6.78
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.40
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-N-(quinolin-3-ylmethyl)-1,3-oxazol-2-amine 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

CID 135353344
CID 135353344
CID 137395043
CID 137395043
CID 11621285
CID 11621285
CID 11650338
CID 11650338
CID 11657174
CID 11657174
CID 57444399
CID 57444399
CID 58147460
CID 58147460
CID 58689772
CID 58689772
CID 75202629
CID 75202629
CID 87871064
CID 87871064
CID 90364849
CID 90364849
CID 118097467
CID 118097467

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-N-(quinolin-3-ylmethyl)-1,3-oxazol-2-amine?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-N-(quinolin-3-ylmethyl)-1,3-oxazol-2-amine (CID 140623432) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-N-(quinolin-3-ylmethyl)-1,3-oxazol-2-amine.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-N-(quinolin-3-ylmethyl)-1,3-oxazol-2-amine?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-N-(quinolin-3-ylmethyl)-1,3-oxazol-2-amine is Cc1coc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cnc3ccccc3c2)n1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-N-(quinolin-3-ylmethyl)-1,3-oxazol-2-amine?
The InChIKey is KITJHRGNQDVAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F6N3O/c1-14-13-33-21(31-14)32(12-16-6-17-4-2-3-5-20(17)30-10-16)11-15-7-18(22(24,25)26)9-19(8-15)23(27,28)29/h2-10,13H,11-12H2,1H3.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-N-(quinolin-3-ylmethyl)-1,3-oxazol-2-amine?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-N-(quinolin-3-ylmethyl)-1,3-oxazol-2-amine has a molecular weight of 465.40 g/mol, XLogP of 6.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-N-(quinolin-3-ylmethyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 140623432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).