N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]methanamine

C16H15F3N4O — CID 126838000

IUPACN-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]methanamine
SMILESCc1ncc(CNCc2cc(C(F)(F)F)on2)n1-c1ccccc1
InChIInChI=1S/C16H15F3N4O/c1-11-21-10-14(23(11)13-5-3-2-4-6-13)9-20-8-12-7-15(24-22-12)16(17,18)19/h2-7,10,20H,8-9H2,1H3
InChIKeyWYMQQNGSIHAYAE-UHFFFAOYSA-N
MW336.32 g/mol
LogP3.48
Rot. Bonds5

About N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]methanamine

N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]methanamine (PubChem CID 126838000) has the molecular formula C16H15F3N4O and a molecular weight of 336.32 g/mol. Its IUPAC name is N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound NameN-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]methanamine
PubChem CID126838000
Molecular FormulaC16H15F3N4O
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC NameN-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]methanamine
SMILESCc1ncc(CNCc2cc(C(F)(F)F)on2)n1-c1ccccc1
InChIInChI=1S/C16H15F3N4O/c1-11-21-10-14(23(11)13-5-3-2-4-6-13)9-20-8-12-7-15(24-22-12)16(17,18)19/h2-7,10,20H,8-9H2,1H3
InChIKeyWYMQQNGSIHAYAE-UHFFFAOYSA-N
XLogP3.48
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]methanamine?
The IUPAC name of N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]methanamine (CID 126838000) is N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]methanamine is Cc1ncc(CNCc2cc(C(F)(F)F)on2)n1-c1ccccc1.
What is the InChIKey of N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]methanamine?
The InChIKey is WYMQQNGSIHAYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O/c1-11-21-10-14(23(11)13-5-3-2-4-6-13)9-20-8-12-7-15(24-22-12)16(17,18)19/h2-7,10,20H,8-9H2,1H3.
What are the key properties of N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]methanamine?
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]methanamine has a molecular weight of 336.32 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 126838000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).