2-(1H-indol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole

C21H15N3O2 — CID 122447567

IUPAC2-(1H-indol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole
SMILESCOc1cncc(-c2ccc3nc(-c4cc5ccccc5[nH]4)oc3c2)c1
InChIInChI=1S/C21H15N3O2/c1-25-16-8-15(11-22-12-16)13-6-7-18-20(10-13)26-21(24-18)19-9-14-4-2-3-5-17(14)23-19/h2-12,23H,1H3
InChIKeyFTSBZIUYXXEART-UHFFFAOYSA-N
MW341.37 g/mol
LogP5.05
Rot. Bonds3

About 2-(1H-indol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole

2-(1H-indol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole (PubChem CID 122447567) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-(1H-indol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1H-indol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole
PubChem CID122447567
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC Name2-(1H-indol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole
SMILESCOc1cncc(-c2ccc3nc(-c4cc5ccccc5[nH]4)oc3c2)c1
InChIInChI=1S/C21H15N3O2/c1-25-16-8-15(11-22-12-16)13-6-7-18-20(10-13)26-21(24-18)19-9-14-4-2-3-5-17(14)23-19/h2-12,23H,1H3
InChIKeyFTSBZIUYXXEART-UHFFFAOYSA-N
XLogP5.05
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.37
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Abecarnil
CID 65914
Ethyl 4-(methoxymethyl)-6-(phenylmethoxy)-9H-pyrido(3,4-b)indole-3-carboxylate
CID 121926
(3Z)-5-(5-{[(2S)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-3-(1H-pyrrol-2-ylmethylidene)-1,3-dihydro-2H-indol-2-one
CID 16731836
3-(7-methoxy-1-methyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327692
Bis(1H-2-indolyl)methanone 45
CID 5330541
Bis(1H-2-indolyl)methanone deriv. 49
CID 5330545
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-2,3-dihydro-1H-indol-2-one
CID 10237631
5-{5-[(S)-2-Amino-3-(1h-Indol-3-Yl)-Propoxyl]-Pyridin-3-Yl}-3-[1-(1h-Pyrrol-2-Yl)-Meth-(Z)-Ylidene]-1,3-Dihydro-Indol-2-One
CID 10310919
2-Benzyl-6-methoxy-5-oxazol-5-yl-1H-indole
CID 22238481
6-Methoxy-5-oxazol-5-yl-2-phenyl-1H-indole
CID 22238483
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-2,3-dihydro-1H-indole-2,3-dione
CID 23647542
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-methyl-2,3-dihydro-1H-indol-2-one
CID 23647551

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole?
The IUPAC name of 2-(1H-indol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole (CID 122447567) is 2-(1H-indol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(1H-indol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole?
The canonical SMILES for 2-(1H-indol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole is COc1cncc(-c2ccc3nc(-c4cc5ccccc5[nH]4)oc3c2)c1.
What is the InChIKey of 2-(1H-indol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole?
The InChIKey is FTSBZIUYXXEART-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2/c1-25-16-8-15(11-22-12-16)13-6-7-18-20(10-13)26-21(24-18)19-9-14-4-2-3-5-17(14)23-19/h2-12,23H,1H3.
What are the key properties of 2-(1H-indol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole?
2-(1H-indol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole has a molecular weight of 341.37 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole is sourced from PubChem (CID 122447567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).