N-[(2-methoxy-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine

C14H13N3O2 — CID 24656847

IUPACN-[(2-methoxy-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine
SMILESCOc1cc(CNc2nc3ccccc3o2)ccn1
InChIInChI=1S/C14H13N3O2/c1-18-13-8-10(6-7-15-13)9-16-14-17-11-4-2-3-5-12(11)19-14/h2-8H,9H2,1H3,(H,16,17)
InChIKeyPPIIWOPODGMBAB-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.84
Rot. Bonds4

About N-[(2-methoxy-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine

N-[(2-methoxy-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine (PubChem CID 24656847) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-[(2-methoxy-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[(2-methoxy-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine
PubChem CID24656847
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC NameN-[(2-methoxy-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine
SMILESCOc1cc(CNc2nc3ccccc3o2)ccn1
InChIInChI=1S/C14H13N3O2/c1-18-13-8-10(6-7-15-13)9-16-14-17-11-4-2-3-5-12(11)19-14/h2-8H,9H2,1H3,(H,16,17)
InChIKeyPPIIWOPODGMBAB-UHFFFAOYSA-N
XLogP2.84
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ontazolast
CID 71458
2-(Piperazin-1-yl)-1,3-benzoxazole
CID 647818
N~2~-1,3-Benzoxazol-2-YL-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-L-alaninamide
CID 6420159
N-phenyl-1,3-benzoxazol-2-amine
CID 243391
3-(Oxazolo[4,5-b]pyridin-2-yl)aniline
CID 611086
N-methyl-1,3-benzoxazol-2-amine
CID 590605
N-(2-methoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329844
VU0366058
CID 57328392
N-(2-Methoxyphenyl)-2-(1,3-Oxazol-5-Yl)-1h-Pyrrolo[3,2-C]pyridin-6-Amine
CID 66548458
N-(4-Ethylphenyl)benzo[d]oxazol-2-amine
CID 39918957
4-(2-(4-isopropylphenylamino)benzo[d]oxazol-5-yloxy)-N-methylpicolinamide
CID 22040407
4-(2-(4-ethylphenylamino)benzo[d]oxazol-5-yloxy)-N-methylpicolinamide
CID 22040436

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine (CID 24656847) is N-[(2-methoxy-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[(2-methoxy-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[(2-methoxy-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine is COc1cc(CNc2nc3ccccc3o2)ccn1.
What is the InChIKey of N-[(2-methoxy-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine?
The InChIKey is PPIIWOPODGMBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-18-13-8-10(6-7-15-13)9-16-14-17-11-4-2-3-5-12(11)19-14/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of N-[(2-methoxy-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine?
N-[(2-methoxy-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine has a molecular weight of 255.28 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 24656847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).