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

C12H12ClFN2O — CID 103096802

IUPAC1-(2-chloro-4-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2ccc(F)cc2Cl)o1
InChIInChI=1S/C12H12ClFN2O/c1-8-5-16-12(17-8)7-15-6-9-2-3-10(14)4-11(9)13/h2-5,15H,6-7H2,1H3
InChIKeyCEHVFJBCSJYSNQ-UHFFFAOYSA-N
MW254.69 g/mol
LogP3.07
Rot. Bonds4

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

1-(2-chloro-4-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 103096802) has the molecular formula C12H12ClFN2O and a molecular weight of 254.69 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID103096802
Molecular FormulaC12H12ClFN2O
Molecular Weight254.69 g/mol
Exact Mass254.06
IUPAC Name1-(2-chloro-4-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2ccc(F)cc2Cl)o1
InChIInChI=1S/C12H12ClFN2O/c1-8-5-16-12(17-8)7-15-6-9-2-3-10(14)4-11(9)13/h2-5,15H,6-7H2,1H3
InChIKeyCEHVFJBCSJYSNQ-UHFFFAOYSA-N
XLogP3.07
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-chloro-4-methylaniline
CID 72107227
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]ethanamine
CID 52624943
(1S)-1-(3-fluoro-4-methylphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 97334742
(1S)-1-(3-chloro-4-fluorophenyl)-1-cyclopropyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 164639907
(4-Chloro-3-fluorophenyl)-(2-methyl-1,3-oxazol-5-yl)methanamine
CID 68295163
(S)-(4-chloro-3-fluorophenyl)-(2-methyl-1,3-oxazol-5-yl)methanamine
CID 118021294
(R)-(4-chloro-3-fluorophenyl)-(2-methyl-1,3-oxazol-5-yl)methanamine
CID 118023323
N-[2-[4-(5-chloro-2-fluorophenyl)phenyl]ethyl]-5-methyl-1,3-oxazole-2-carboxamide
CID 130218010
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-(4-fluorophenyl)propan-2-amine
CID 53594845
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 60440012
1-(3-chloro-4-fluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 62538928
1-(3,4-difluorophenyl)-N-(1,3-oxazol-5-ylmethyl)methanamine
CID 65964213

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine (CID 103096802) is 1-(2-chloro-4-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine is Cc1cnc(CNCc2ccc(F)cc2Cl)o1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is CEHVFJBCSJYSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O/c1-8-5-16-12(17-8)7-15-6-9-2-3-10(14)4-11(9)13/h2-5,15H,6-7H2,1H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
1-(2-chloro-4-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 254.69 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 103096802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).