N-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine

C15H14FN3O — CID 171998075

IUPACN-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine
SMILESCN(Cc1cccnc1)Cc1noc2cc(F)ccc12
InChIInChI=1S/C15H14FN3O/c1-19(9-11-3-2-6-17-8-11)10-14-13-5-4-12(16)7-15(13)20-18-14/h2-8H,9-10H2,1H3
InChIKeyUTSNEWCEHJHLSF-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.99
Rot. Bonds4

About N-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine

N-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine (PubChem CID 171998075) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is N-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine
PubChem CID171998075
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC NameN-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine
SMILESCN(Cc1cccnc1)Cc1noc2cc(F)ccc12
InChIInChI=1S/C15H14FN3O/c1-19(9-11-3-2-6-17-8-11)10-14-13-5-4-12(16)7-15(13)20-18-14/h2-8H,9-10H2,1H3
InChIKeyUTSNEWCEHJHLSF-UHFFFAOYSA-N
XLogP2.99
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(chloromethyl)-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 43563584
N-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 171998133
5-fluoro-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzenecarboximidamide
CID 63290756
(6-fluoro-1,2-benzoxazol-3-yl)methanamine;hydrochloride
CID 126797029
[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methanamine
CID 43248750
1-(2,4-difluorophenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 107519684
N-methyl-1-pyridin-3-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 76540758
3,4-difluoro-N-[3-[[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl-methylamino]methyl]phenyl]benzenesulfonamide
CID 71738088
N-[3-[[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl-methylamino]methyl]phenyl]thiophene-3-sulfonamide
CID 71738243
2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 78934994
2-amino-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 63109669
1-(4-butylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 173272882

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine (CID 171998075) is N-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine is CN(Cc1cccnc1)Cc1noc2cc(F)ccc12.
What is the InChIKey of N-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine?
The InChIKey is UTSNEWCEHJHLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-19(9-11-3-2-6-17-8-11)10-14-13-5-4-12(16)7-15(13)20-18-14/h2-8H,9-10H2,1H3.
What are the key properties of N-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine?
N-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine has a molecular weight of 271.30 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 171998075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).