N-methyl-1-(2-pyridin-4-yl-1,3-benzoxazol-6-yl)methanamine

C14H13N3O — CID 82357586

IUPACN-methyl-1-(2-pyridin-4-yl-1,3-benzoxazol-6-yl)methanamine
SMILESCNCc1ccc2nc(-c3ccncc3)oc2c1
InChIInChI=1S/C14H13N3O/c1-15-9-10-2-3-12-13(8-10)18-14(17-12)11-4-6-16-7-5-11/h2-8,15H,9H2,1H3
InChIKeyNVWOWJFSNOSMFG-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.61
Rot. Bonds3

About N-methyl-1-(2-pyridin-4-yl-1,3-benzoxazol-6-yl)methanamine

N-methyl-1-(2-pyridin-4-yl-1,3-benzoxazol-6-yl)methanamine (PubChem CID 82357586) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is N-methyl-1-(2-pyridin-4-yl-1,3-benzoxazol-6-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-pyridin-4-yl-1,3-benzoxazol-6-yl)methanamine
PubChem CID82357586
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC NameN-methyl-1-(2-pyridin-4-yl-1,3-benzoxazol-6-yl)methanamine
SMILESCNCc1ccc2nc(-c3ccncc3)oc2c1
InChIInChI=1S/C14H13N3O/c1-15-9-10-2-3-12-13(8-10)18-14(17-12)11-4-6-16-7-5-11/h2-8,15H,9H2,1H3
InChIKeyNVWOWJFSNOSMFG-UHFFFAOYSA-N
XLogP2.61
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-phenyl-1,3-benzoxazol-6-yl)methyl]ethanamine
CID 82357516
1-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
CID 82357631
2-pyridin-4-yl-1,3-benzoxazole
CID 16804
1-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
CID 82357642
2-pyridin-4-yl-1,3-benzoxazole-6-sulfonyl chloride
CID 82358057
N-[[2-(3-chlorophenyl)-1,3-benzoxazol-6-yl]methyl]ethanamine
CID 82357533
[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanol
CID 15629818
[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methylazanium
CID 7339766
N-(3-methoxypropyl)-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide
CID 134797727
1-[2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazol-6-yl]-N-methylmethanamine
CID 82357595
2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-benzoxazol-5-amine
CID 882263
1-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
CID 82357625

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-pyridin-4-yl-1,3-benzoxazol-6-yl)methanamine?
The IUPAC name of N-methyl-1-(2-pyridin-4-yl-1,3-benzoxazol-6-yl)methanamine (CID 82357586) is N-methyl-1-(2-pyridin-4-yl-1,3-benzoxazol-6-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-pyridin-4-yl-1,3-benzoxazol-6-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-pyridin-4-yl-1,3-benzoxazol-6-yl)methanamine is CNCc1ccc2nc(-c3ccncc3)oc2c1.
What is the InChIKey of N-methyl-1-(2-pyridin-4-yl-1,3-benzoxazol-6-yl)methanamine?
The InChIKey is NVWOWJFSNOSMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-15-9-10-2-3-12-13(8-10)18-14(17-12)11-4-6-16-7-5-11/h2-8,15H,9H2,1H3.
What are the key properties of N-methyl-1-(2-pyridin-4-yl-1,3-benzoxazol-6-yl)methanamine?
N-methyl-1-(2-pyridin-4-yl-1,3-benzoxazol-6-yl)methanamine has a molecular weight of 239.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-pyridin-4-yl-1,3-benzoxazol-6-yl)methanamine is sourced from PubChem (CID 82357586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).