N-methyl-5-(1-methylindol-5-yl)-N-phenyl-1,3-benzoxazol-2-amine

C23H19N3O — CID 45279640

IUPACN-methyl-5-(1-methylindol-5-yl)-N-phenyl-1,3-benzoxazol-2-amine
SMILESCN(c1ccccc1)c1nc2cc(-c3ccc4c(ccn4C)c3)ccc2o1
InChIInChI=1S/C23H19N3O/c1-25-13-12-18-14-16(8-10-21(18)25)17-9-11-22-20(15-17)24-23(27-22)26(2)19-6-4-3-5-7-19/h3-15H,1-2H3
InChIKeyMVYARKAUCYWWLH-UHFFFAOYSA-N
MW353.43 g/mol
LogP5.75
Rot. Bonds3

About N-methyl-5-(1-methylindol-5-yl)-N-phenyl-1,3-benzoxazol-2-amine

N-methyl-5-(1-methylindol-5-yl)-N-phenyl-1,3-benzoxazol-2-amine (PubChem CID 45279640) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is N-methyl-5-(1-methylindol-5-yl)-N-phenyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-(1-methylindol-5-yl)-N-phenyl-1,3-benzoxazol-2-amine
PubChem CID45279640
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC NameN-methyl-5-(1-methylindol-5-yl)-N-phenyl-1,3-benzoxazol-2-amine
SMILESCN(c1ccccc1)c1nc2cc(-c3ccc4c(ccn4C)c3)ccc2o1
InChIInChI=1S/C23H19N3O/c1-25-13-12-18-14-16(8-10-21(18)25)17-9-11-22-20(15-17)24-23(27-22)26(2)19-6-4-3-5-7-19/h3-15H,1-2H3
InChIKeyMVYARKAUCYWWLH-UHFFFAOYSA-N
XLogP5.75
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.43
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(1-methylindol-5-yl)-N-phenyl-1,3-benzoxazol-2-amine?
The IUPAC name of N-methyl-5-(1-methylindol-5-yl)-N-phenyl-1,3-benzoxazol-2-amine (CID 45279640) is N-methyl-5-(1-methylindol-5-yl)-N-phenyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-methyl-5-(1-methylindol-5-yl)-N-phenyl-1,3-benzoxazol-2-amine?
The canonical SMILES for N-methyl-5-(1-methylindol-5-yl)-N-phenyl-1,3-benzoxazol-2-amine is CN(c1ccccc1)c1nc2cc(-c3ccc4c(ccn4C)c3)ccc2o1.
What is the InChIKey of N-methyl-5-(1-methylindol-5-yl)-N-phenyl-1,3-benzoxazol-2-amine?
The InChIKey is MVYARKAUCYWWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c1-25-13-12-18-14-16(8-10-21(18)25)17-9-11-22-20(15-17)24-23(27-22)26(2)19-6-4-3-5-7-19/h3-15H,1-2H3.
What are the key properties of N-methyl-5-(1-methylindol-5-yl)-N-phenyl-1,3-benzoxazol-2-amine?
N-methyl-5-(1-methylindol-5-yl)-N-phenyl-1,3-benzoxazol-2-amine has a molecular weight of 353.43 g/mol, XLogP of 5.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(1-methylindol-5-yl)-N-phenyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 45279640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).