1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-6-carboxamide

C14H16N4O2 — CID 75521149

IUPAC1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-6-carboxamide
SMILESCc1nc(CNC(=O)c2ccc3c(c2)N(C)CC3)no1
InChIInChI=1S/C14H16N4O2/c1-9-16-13(17-20-9)8-15-14(19)11-4-3-10-5-6-18(2)12(10)7-11/h3-4,7H,5-6,8H2,1-2H3,(H,15,19)
InChIKeyKMVWDPFKFUWGNM-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.30
Rot. Bonds3

About 1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-6-carboxamide

1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-6-carboxamide (PubChem CID 75521149) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-6-carboxamide
PubChem CID75521149
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-6-carboxamide
SMILESCc1nc(CNC(=O)c2ccc3c(c2)N(C)CC3)no1
InChIInChI=1S/C14H16N4O2/c1-9-16-13(17-20-9)8-15-14(19)11-4-3-10-5-6-18(2)12(10)7-11/h3-4,7H,5-6,8H2,1-2H3,(H,15,19)
InChIKeyKMVWDPFKFUWGNM-UHFFFAOYSA-N
XLogP1.30
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-6-carboxamide?
The IUPAC name of 1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-6-carboxamide (CID 75521149) is 1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-6-carboxamide.
What is the SMILES notation for 1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-6-carboxamide?
The canonical SMILES for 1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-6-carboxamide is Cc1nc(CNC(=O)c2ccc3c(c2)N(C)CC3)no1.
What is the InChIKey of 1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-6-carboxamide?
The InChIKey is KMVWDPFKFUWGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9-16-13(17-20-9)8-15-14(19)11-4-3-10-5-6-18(2)12(10)7-11/h3-4,7H,5-6,8H2,1-2H3,(H,15,19).
What are the key properties of 1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-6-carboxamide?
1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-6-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 75521149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).