1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine

C16H15ClF2N4O — CID 87013873

IUPAC1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine
SMILESCN(Cc1cc(-c2ccc(Cl)cc2)no1)Cc1nccn1C(F)F
InChIInChI=1S/C16H15ClF2N4O/c1-22(10-15-20-6-7-23(15)16(18)19)9-13-8-14(21-24-13)11-2-4-12(17)5-3-11/h2-8,16H,9-10H2,1H3
InChIKeyQHJIUPDADQYPJT-UHFFFAOYSA-N
MW352.77 g/mol
LogP4.22
Rot. Bonds6

About 1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine

1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine (PubChem CID 87013873) has the molecular formula C16H15ClF2N4O and a molecular weight of 352.77 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine
PubChem CID87013873
Molecular FormulaC16H15ClF2N4O
Molecular Weight352.77 g/mol
Exact Mass352.09
IUPAC Name1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine
SMILESCN(Cc1cc(-c2ccc(Cl)cc2)no1)Cc1nccn1C(F)F
InChIInChI=1S/C16H15ClF2N4O/c1-22(10-15-20-6-7-23(15)16(18)19)9-13-8-14(21-24-13)11-2-4-12(17)5-3-11/h2-8,16H,9-10H2,1H3
InChIKeyQHJIUPDADQYPJT-UHFFFAOYSA-N
XLogP4.22
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine (CID 87013873) is 1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine is CN(Cc1cc(-c2ccc(Cl)cc2)no1)Cc1nccn1C(F)F.
What is the InChIKey of 1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine?
The InChIKey is QHJIUPDADQYPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N4O/c1-22(10-15-20-6-7-23(15)16(18)19)9-13-8-14(21-24-13)11-2-4-12(17)5-3-11/h2-8,16H,9-10H2,1H3.
What are the key properties of 1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine?
1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine has a molecular weight of 352.77 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine is sourced from PubChem (CID 87013873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).