N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-5-carboxamide

C17H18N4O3 — CID 121021957

IUPACN-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-5-carboxamide
SMILESO=C(NCc1nc(C2CCOCC2)no1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C17H18N4O3/c22-17(13-1-2-14-12(9-13)3-6-18-14)19-10-15-20-16(21-24-15)11-4-7-23-8-5-11/h1-3,6,9,11,18H,4-5,7-8,10H2,(H,19,22)
InChIKeyDBBFQSGSKHPWRV-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.37
Rot. Bonds4

About N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-5-carboxamide

N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-5-carboxamide (PubChem CID 121021957) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-5-carboxamide
PubChem CID121021957
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-5-carboxamide
SMILESO=C(NCc1nc(C2CCOCC2)no1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C17H18N4O3/c22-17(13-1-2-14-12(9-13)3-6-18-14)19-10-15-20-16(21-24-15)11-4-7-23-8-5-11/h1-3,6,9,11,18H,4-5,7-8,10H2,(H,19,22)
InChIKeyDBBFQSGSKHPWRV-UHFFFAOYSA-N
XLogP2.37
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(imidazol-1-ylmethyl)-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 121021939
2-methyl-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazole-3-carboxamide
CID 122160536
N-(oxolan-2-ylmethyl)-1H-indole-5-carboxamide
CID 63717299
N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 121021963
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(3S)-piperidin-3-yl]benzamide
CID 97210642
5-(1H-indol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97455316
4-[(1H-indole-5-carbonylamino)methyl]benzoic acid
CID 141342691
N-(4-methyloxan-4-yl)-1H-indole-5-carboxamide
CID 115759610
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylsulfanylphenyl)benzamide
CID 118787519
4-[(1H-indole-5-carbonylamino)methyl]oxane-4-carboxylic acid
CID 120542937
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methyl-N-(2-methylpropyl)benzamide
CID 47088144
2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 65334732

Frequently Asked Questions

What is the IUPAC name of N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-5-carboxamide (CID 121021957) is N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-5-carboxamide is O=C(NCc1nc(C2CCOCC2)no1)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-5-carboxamide?
The InChIKey is DBBFQSGSKHPWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c22-17(13-1-2-14-12(9-13)3-6-18-14)19-10-15-20-16(21-24-15)11-4-7-23-8-5-11/h1-3,6,9,11,18H,4-5,7-8,10H2,(H,19,22).
What are the key properties of N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-5-carboxamide?
N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-5-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 121021957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).