N-[(7-methyl-1,3-benzoxazol-2-yl)methyl]aniline

C15H14N2O — CID 79601457

IUPACN-[(7-methyl-1,3-benzoxazol-2-yl)methyl]aniline
SMILESCc1cccc2nc(CNc3ccccc3)oc12
InChIInChI=1S/C15H14N2O/c1-11-6-5-9-13-15(11)18-14(17-13)10-16-12-7-3-2-4-8-12/h2-9,16H,10H2,1H3
InChIKeyUAWKUWQXEAAEDJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.75
Rot. Bonds3

About N-[(7-methyl-1,3-benzoxazol-2-yl)methyl]aniline

N-[(7-methyl-1,3-benzoxazol-2-yl)methyl]aniline (PubChem CID 79601457) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[(7-methyl-1,3-benzoxazol-2-yl)methyl]aniline.

Molecular Properties

Compound NameN-[(7-methyl-1,3-benzoxazol-2-yl)methyl]aniline
PubChem CID79601457
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC NameN-[(7-methyl-1,3-benzoxazol-2-yl)methyl]aniline
SMILESCc1cccc2nc(CNc3ccccc3)oc12
InChIInChI=1S/C15H14N2O/c1-11-6-5-9-13-15(11)18-14(17-13)10-16-12-7-3-2-4-8-12/h2-9,16H,10H2,1H3
InChIKeyUAWKUWQXEAAEDJ-UHFFFAOYSA-N
XLogP3.75
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-1,3-benzoxazol-2-yl)methyl]aniline?
The IUPAC name of N-[(7-methyl-1,3-benzoxazol-2-yl)methyl]aniline (CID 79601457) is N-[(7-methyl-1,3-benzoxazol-2-yl)methyl]aniline.
What is the SMILES notation for N-[(7-methyl-1,3-benzoxazol-2-yl)methyl]aniline?
The canonical SMILES for N-[(7-methyl-1,3-benzoxazol-2-yl)methyl]aniline is Cc1cccc2nc(CNc3ccccc3)oc12.
What is the InChIKey of N-[(7-methyl-1,3-benzoxazol-2-yl)methyl]aniline?
The InChIKey is UAWKUWQXEAAEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-11-6-5-9-13-15(11)18-14(17-13)10-16-12-7-3-2-4-8-12/h2-9,16H,10H2,1H3.
What are the key properties of N-[(7-methyl-1,3-benzoxazol-2-yl)methyl]aniline?
N-[(7-methyl-1,3-benzoxazol-2-yl)methyl]aniline has a molecular weight of 238.29 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyl-1,3-benzoxazol-2-yl)methyl]aniline is sourced from PubChem (CID 79601457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).