5-(1H-indol-3-yl)-N-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine

C17H14N4O2 — CID 175670615

IUPAC5-(1H-indol-3-yl)-N-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccccc1Nc1nnc(-c2c[nH]c3ccccc23)o1
InChIInChI=1S/C17H14N4O2/c1-22-15-9-5-4-8-14(15)19-17-21-20-16(23-17)12-10-18-13-7-3-2-6-11(12)13/h2-10,18H,1H3,(H,19,21)
InChIKeySKSRZFXATUKKAA-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.97
Rot. Bonds4

About 5-(1H-indol-3-yl)-N-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine

5-(1H-indol-3-yl)-N-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 175670615) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 5-(1H-indol-3-yl)-N-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1H-indol-3-yl)-N-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID175670615
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name5-(1H-indol-3-yl)-N-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccccc1Nc1nnc(-c2c[nH]c3ccccc23)o1
InChIInChI=1S/C17H14N4O2/c1-22-15-9-5-4-8-14(15)19-17-21-20-16(23-17)12-10-18-13-7-3-2-6-11(12)13/h2-10,18H,1H3,(H,19,21)
InChIKeySKSRZFXATUKKAA-UHFFFAOYSA-N
XLogP3.97
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylphenyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-amine
CID 175670558
6-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]amino]-2,4,5-trimethylpyridin-3-ol
CID 139559776
4-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]phenol
CID 137250320
2-(1H-indol-3-yl)-5-methyl-1,3,4-oxadiazole
CID 135876288
4-[[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 135710112
N-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 118611400
N-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxybenzamide
CID 135623548
N-(2-methoxyphenyl)-5-(3-methoxy-4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine
CID 4799057
N-(2,4-dimethoxyphenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2636221
2-(1H-indol-3-yl)-5-propan-2-ylsulfanyl-1,3,4-oxadiazole
CID 135667478
2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2975254
(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)propanamide
CID 135569636

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-3-yl)-N-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1H-indol-3-yl)-N-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine (CID 175670615) is 5-(1H-indol-3-yl)-N-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1H-indol-3-yl)-N-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1H-indol-3-yl)-N-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine is COc1ccccc1Nc1nnc(-c2c[nH]c3ccccc23)o1.
What is the InChIKey of 5-(1H-indol-3-yl)-N-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is SKSRZFXATUKKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-22-15-9-5-4-8-14(15)19-17-21-20-16(23-17)12-10-18-13-7-3-2-6-11(12)13/h2-10,18H,1H3,(H,19,21).
What are the key properties of 5-(1H-indol-3-yl)-N-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
5-(1H-indol-3-yl)-N-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 306.33 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-yl)-N-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 175670615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).