2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-benzoxazol-5-amine

C20H17N3O — CID 882263

IUPAC2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-benzoxazol-5-amine
SMILESCc1ccc(-c2nc3cc(NCc4ccncc4)ccc3o2)cc1
InChIInChI=1S/C20H17N3O/c1-14-2-4-16(5-3-14)20-23-18-12-17(6-7-19(18)24-20)22-13-15-8-10-21-11-9-15/h2-12,22H,13H2,1H3
InChIKeyUGYWYEUWSBJUKM-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.81
Rot. Bonds4

About 2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-benzoxazol-5-amine

2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-benzoxazol-5-amine (PubChem CID 882263) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-benzoxazol-5-amine
PubChem CID882263
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-benzoxazol-5-amine
SMILESCc1ccc(-c2nc3cc(NCc4ccncc4)ccc3o2)cc1
InChIInChI=1S/C20H17N3O/c1-14-2-4-16(5-3-14)20-23-18-12-17(6-7-19(18)24-20)22-13-15-8-10-21-11-9-15/h2-12,22H,13H2,1H3
InChIKeyUGYWYEUWSBJUKM-UHFFFAOYSA-N
XLogP4.81
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-3-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]amino]propan-2-ol
CID 168638675
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
N-benzyl-4-(5-chloro-1,3-benzoxazol-2-yl)aniline
CID 56737121
N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]formamide
CID 168653350
N-ethyl-2-(4-iodophenyl)-1,3-benzoxazol-5-amine
CID 91682505
2-(2,4-dimethylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide
CID 1362324
2-cyano-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 168522173
2-methyl-N-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-5-amine
CID 115212658
2-(5-methyl-1,3-benzoxazol-2-yl)-4-(pyridin-3-ylmethylamino)phenol
CID 1226959
2-[4-[3,5-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-5-methyl-1,3-benzoxazole
CID 22960109
2-(benzylamino)-N-[4-[5-[[2-(benzylamino)acetyl]amino]-1,3-benzoxazol-2-yl]phenyl]acetamide
CID 3816476
tert-butyl N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamate
CID 166446222

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-benzoxazol-5-amine (CID 882263) is 2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-benzoxazol-5-amine is Cc1ccc(-c2nc3cc(NCc4ccncc4)ccc3o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-benzoxazol-5-amine?
The InChIKey is UGYWYEUWSBJUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-14-2-4-16(5-3-14)20-23-18-12-17(6-7-19(18)24-20)22-13-15-8-10-21-11-9-15/h2-12,22H,13H2,1H3.
What are the key properties of 2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-benzoxazol-5-amine?
2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-benzoxazol-5-amine has a molecular weight of 315.38 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 882263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).