N-(2-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide

C14H14N4O3 — CID 45369668

IUPACN-(2-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
SMILESCC(O)CNC(=O)c1nc(-c2ccc3cc[nH]c3c2)no1
InChIInChI=1S/C14H14N4O3/c1-8(19)7-16-13(20)14-17-12(18-21-14)10-3-2-9-4-5-15-11(9)6-10/h2-6,8,15,19H,7H2,1H3,(H,16,20)
InChIKeyLKIMQCQYNDRAPV-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.33
Rot. Bonds4

About N-(2-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide

N-(2-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 45369668) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID45369668
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC NameN-(2-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
SMILESCC(O)CNC(=O)c1nc(-c2ccc3cc[nH]c3c2)no1
InChIInChI=1S/C14H14N4O3/c1-8(19)7-16-13(20)14-17-12(18-21-14)10-3-2-9-4-5-15-11(9)6-10/h2-6,8,15,19H,7H2,1H3,(H,16,20)
InChIKeyLKIMQCQYNDRAPV-UHFFFAOYSA-N
XLogP1.33
TPSA104.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-N-[(2R)-2-hydroxypropyl]-1,2,4-oxadiazole-5-carboxamide
CID 42534811
N-[(4-chlorophenyl)methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 42534928
3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 42568930
N-cycloheptyl-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 42570665
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 42582555
N-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 45370003
3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylbutyl)propanamide
CID 71705041
N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-6-carboxamide
CID 102907607
N-(3-methoxy-2-methylpropyl)-1H-indole-6-carboxamide
CID 47432269
N-[(2R)-2-hydroxy-2-phenylethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
CID 41129917
N-benzyl-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 71703336
N-(2-hydroxypropyl)-2-(1H-indol-5-yl)acetamide
CID 84577469

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide (CID 45369668) is N-(2-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide is CC(O)CNC(=O)c1nc(-c2ccc3cc[nH]c3c2)no1.
What is the InChIKey of N-(2-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is LKIMQCQYNDRAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-8(19)7-16-13(20)14-17-12(18-21-14)10-3-2-9-4-5-15-11(9)6-10/h2-6,8,15,19H,7H2,1H3,(H,16,20).
What are the key properties of N-(2-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide?
N-(2-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 286.29 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 45369668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).