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

C18H20N4O3 — CID 128973960

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-indole-4-carboxamide
SMILESCc1noc(C(NC(=O)c2cccc3[nH]ccc23)C2CCOCC2)n1
InChIInChI=1S/C18H20N4O3/c1-11-20-18(25-22-11)16(12-6-9-24-10-7-12)21-17(23)14-3-2-4-15-13(14)5-8-19-15/h2-5,8,12,16,19H,6-7,9-10H2,1H3,(H,21,23)
InChIKeyPPUUTGSHLKOTQG-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.76
Rot. Bonds4

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

N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-indole-4-carboxamide (PubChem CID 128973960) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-indole-4-carboxamide
PubChem CID128973960
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-indole-4-carboxamide
SMILESCc1noc(C(NC(=O)c2cccc3[nH]ccc23)C2CCOCC2)n1
InChIInChI=1S/C18H20N4O3/c1-11-20-18(25-22-11)16(12-6-9-24-10-7-12)21-17(23)14-3-2-4-15-13(14)5-8-19-15/h2-5,8,12,16,19H,6-7,9-10H2,1H3,(H,21,23)
InChIKeyPPUUTGSHLKOTQG-UHFFFAOYSA-N
XLogP2.76
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-methyl-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-imidazole-5-carboxamide
CID 129326419
3-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]thiophene-2-carboxamide
CID 128966227
2-(4-fluorophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide
CID 129327822
4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 128987864
N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 129327413
N-(1-cyclopropylbutan-2-yl)-1H-indole-4-carboxamide
CID 63995977
1-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-thiophen-3-ylurea
CID 129331095
1-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-(4-methyl-3-pyridinyl)urea
CID 128977865
N-[1-(oxolan-2-yl)ethyl]-1H-indole-4-carboxamide
CID 43581991
1-[2-(furan-2-yl)ethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea
CID 128985907
N-(4-methyloxan-4-yl)-1H-indole-4-carboxamide
CID 115759557
1-[(1-cyclopropylcyclopropyl)methyl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea
CID 129330509

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-indole-4-carboxamide?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-indole-4-carboxamide (CID 128973960) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-indole-4-carboxamide.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-indole-4-carboxamide?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-indole-4-carboxamide is Cc1noc(C(NC(=O)c2cccc3[nH]ccc23)C2CCOCC2)n1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-indole-4-carboxamide?
The InChIKey is PPUUTGSHLKOTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11-20-18(25-22-11)16(12-6-9-24-10-7-12)21-17(23)14-3-2-4-15-13(14)5-8-19-15/h2-5,8,12,16,19H,6-7,9-10H2,1H3,(H,21,23).
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-indole-4-carboxamide?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-indole-4-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-indole-4-carboxamide is sourced from PubChem (CID 128973960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).