N-(4-methoxyphenyl)-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine

C23H19N3O2 — CID 45278624

IUPACN-(4-methoxyphenyl)-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine
SMILESCOc1ccc(Nc2nc3cc(-c4ccc5c(ccn5C)c4)ccc3o2)cc1
InChIInChI=1S/C23H19N3O2/c1-26-12-11-17-13-15(3-9-21(17)26)16-4-10-22-20(14-16)25-23(28-22)24-18-5-7-19(27-2)8-6-18/h3-14H,1-2H3,(H,24,25)
InChIKeyWIZPMKGFLYYGKW-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.74
Rot. Bonds4

About N-(4-methoxyphenyl)-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine

N-(4-methoxyphenyl)-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine (PubChem CID 45278624) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine
PubChem CID45278624
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC NameN-(4-methoxyphenyl)-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine
SMILESCOc1ccc(Nc2nc3cc(-c4ccc5c(ccn5C)c4)ccc3o2)cc1
InChIInChI=1S/C23H19N3O2/c1-26-12-11-17-13-15(3-9-21(17)26)16-4-10-22-20(14-16)25-23(28-22)24-18-5-7-19(27-2)8-6-18/h3-14H,1-2H3,(H,24,25)
InChIKeyWIZPMKGFLYYGKW-UHFFFAOYSA-N
XLogP5.74
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine (CID 45278624) is N-(4-methoxyphenyl)-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine is COc1ccc(Nc2nc3cc(-c4ccc5c(ccn5C)c4)ccc3o2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine?
The InChIKey is WIZPMKGFLYYGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-26-12-11-17-13-15(3-9-21(17)26)16-4-10-22-20(14-16)25-23(28-22)24-18-5-7-19(27-2)8-6-18/h3-14H,1-2H3,(H,24,25).
What are the key properties of N-(4-methoxyphenyl)-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine?
N-(4-methoxyphenyl)-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine has a molecular weight of 369.42 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 45278624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).