2-[3-methoxy-4-(pyridin-3-ylmethyl)phenyl]-1,3-benzoxazole

C20H16N2O2 — CID 10236648

IUPAC2-[3-methoxy-4-(pyridin-3-ylmethyl)phenyl]-1,3-benzoxazole
SMILESCOc1cc(-c2nc3ccccc3o2)ccc1Cc1cccnc1
InChIInChI=1S/C20H16N2O2/c1-23-19-12-16(20-22-17-6-2-3-7-18(17)24-20)9-8-15(19)11-14-5-4-10-21-13-14/h2-10,12-13H,11H2,1H3
InChIKeyUFNUQALXNIKULA-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.49
Rot. Bonds4

About 2-[3-methoxy-4-(pyridin-3-ylmethyl)phenyl]-1,3-benzoxazole

2-[3-methoxy-4-(pyridin-3-ylmethyl)phenyl]-1,3-benzoxazole (PubChem CID 10236648) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[3-methoxy-4-(pyridin-3-ylmethyl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[3-methoxy-4-(pyridin-3-ylmethyl)phenyl]-1,3-benzoxazole
PubChem CID10236648
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name2-[3-methoxy-4-(pyridin-3-ylmethyl)phenyl]-1,3-benzoxazole
SMILESCOc1cc(-c2nc3ccccc3o2)ccc1Cc1cccnc1
InChIInChI=1S/C20H16N2O2/c1-23-19-12-16(20-22-17-6-2-3-7-18(17)24-20)9-8-15(19)11-14-5-4-10-21-13-14/h2-10,12-13H,11H2,1H3
InChIKeyUFNUQALXNIKULA-UHFFFAOYSA-N
XLogP4.49
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[amino(methyl)amino]-2-[4-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]ethanimidamide
CID 142250608
2-[4-[(4-bromoimidazol-1-yl)methyl]-3-methoxyphenyl]-1,3-benzoxazole
CID 10150536
2-[4-[2-(4H-azepin-5-yl)ethyl]-3-methoxyphenyl]-1,3-benzoxazole
CID 142880500
methyl 1-[[4-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]methyl]imidazole-4-carboxylate
CID 10215632
6-[4-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]pyridin-3-amine
CID 10149716
2-(3-isocyanato-4-methoxyphenyl)-1,3-benzoxazole
CID 169354003
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]formamide
CID 168653266
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 24599401
5-(1,3-benzoxazol-2-yl)-2-butylaniline
CID 159857474
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]furan-2-carboxamide
CID 1497032
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848128

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-(pyridin-3-ylmethyl)phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[3-methoxy-4-(pyridin-3-ylmethyl)phenyl]-1,3-benzoxazole (CID 10236648) is 2-[3-methoxy-4-(pyridin-3-ylmethyl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[3-methoxy-4-(pyridin-3-ylmethyl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[3-methoxy-4-(pyridin-3-ylmethyl)phenyl]-1,3-benzoxazole is COc1cc(-c2nc3ccccc3o2)ccc1Cc1cccnc1.
What is the InChIKey of 2-[3-methoxy-4-(pyridin-3-ylmethyl)phenyl]-1,3-benzoxazole?
The InChIKey is UFNUQALXNIKULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-23-19-12-16(20-22-17-6-2-3-7-18(17)24-20)9-8-15(19)11-14-5-4-10-21-13-14/h2-10,12-13H,11H2,1H3.
What are the key properties of 2-[3-methoxy-4-(pyridin-3-ylmethyl)phenyl]-1,3-benzoxazole?
2-[3-methoxy-4-(pyridin-3-ylmethyl)phenyl]-1,3-benzoxazole has a molecular weight of 316.36 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-(pyridin-3-ylmethyl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 10236648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).