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

C16H13N3O — CID 143969091

IUPAC5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine
SMILESCn1ccc2cc(-c3ccc4oc(N)nc4c3)ccc21
InChIInChI=1S/C16H13N3O/c1-19-7-6-12-8-10(2-4-14(12)19)11-3-5-15-13(9-11)18-16(17)20-15/h2-9H,1H3,(H2,17,18)
InChIKeyDLUIRIUCUZLMBX-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.57
Rot. Bonds1

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

5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine (PubChem CID 143969091) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine
PubChem CID143969091
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine
SMILESCn1ccc2cc(-c3ccc4oc(N)nc4c3)ccc21
InChIInChI=1S/C16H13N3O/c1-19-7-6-12-8-10(2-4-14(12)19)11-3-5-15-13(9-11)18-16(17)20-15/h2-9H,1H3,(H2,17,18)
InChIKeyDLUIRIUCUZLMBX-UHFFFAOYSA-N
XLogP3.57
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-methylindol-5-yl)-N-thiophen-2-yl-1,3-benzoxazol-2-amine
CID 68657897
1-[5-(1-methylindol-5-yl)-1,3-benzoxazol-2-yl]piperidin-4-ol
CID 143969078
N-cyclobutyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine
CID 68658294
2-(2,3-dihydroindol-1-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole
CID 68657629
N-(4-methoxyphenyl)-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine
CID 45278624
2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole
CID 68657908
1-methyl-3-(1-methylindol-5-yl)pyrazol-5-amine
CID 117325598
5-(4-fluorophenyl)-1-methylindole
CID 172686115
5-pyrrol-1-yl-1,3-benzoxazol-2-amine
CID 175957420
4-methyl-6-(1-methylindol-5-yl)pyrimidin-2-amine
CID 56857402
5-[3-(3-methylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
CID 144716966
5-(4-amino-1-propylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
CID 154677705

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of 5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine (CID 143969091) is 5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine is Cn1ccc2cc(-c3ccc4oc(N)nc4c3)ccc21.
What is the InChIKey of 5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine?
The InChIKey is DLUIRIUCUZLMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-19-7-6-12-8-10(2-4-14(12)19)11-3-5-15-13(9-11)18-16(17)20-15/h2-9H,1H3,(H2,17,18).
What are the key properties of 5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine?
5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine has a molecular weight of 263.30 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 143969091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).