5-methoxy-N,3-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-2-carboxamide

C19H24N4O3 — CID 50967806

IUPAC5-methoxy-N,3-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N(C)CCc3noc(C(C)C)n3)c(C)c2c1
InChIInChI=1S/C19H24N4O3/c1-11(2)18-21-16(22-26-18)8-9-23(4)19(24)17-12(3)14-10-13(25-5)6-7-15(14)20-17/h6-7,10-11,20H,8-9H2,1-5H3
InChIKeyMHLHYZFPLZKFRM-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.31
Rot. Bonds6

About 5-methoxy-N,3-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-2-carboxamide

5-methoxy-N,3-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 50967806) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-methoxy-N,3-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N,3-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-2-carboxamide
PubChem CID50967806
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name5-methoxy-N,3-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N(C)CCc3noc(C(C)C)n3)c(C)c2c1
InChIInChI=1S/C19H24N4O3/c1-11(2)18-21-16(22-26-18)8-9-23(4)19(24)17-12(3)14-10-13(25-5)6-7-15(14)20-17/h6-7,10-11,20H,8-9H2,1-5H3
InChIKeyMHLHYZFPLZKFRM-UHFFFAOYSA-N
XLogP3.31
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

5-ethoxy-N,3-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide
CID 51500846
N,2,8-trimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]quinoline-4-carboxamide
CID 46982276
6-methoxy-3-[[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1H-quinolin-2-one
CID 56700693
5-methoxy-3-methyl-N-(3-methylbutyl)-1H-indole-2-carboxamide
CID 113204847
N-(2-hydroxyethyl)-5-methoxy-3-methyl-N-[(5-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide
CID 77083995
(2S)-N-methyl-2-(methylamino)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 91840785
5-chloro-N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
CID 56865070
2-(4-methoxy-3,5-dimethylphenyl)-2-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]acetic acid
CID 46995566
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-methoxy-N,3-dimethyl-1H-indole-2-carboxamide
CID 135637975
5-methoxy-3-methyl-N-[2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propyl]-1H-indole-2-carboxamide
CID 166396962
N-benzyl-N-ethyl-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 4971091
N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 119069461

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N,3-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-methoxy-N,3-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-2-carboxamide (CID 50967806) is 5-methoxy-N,3-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-methoxy-N,3-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-methoxy-N,3-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)N(C)CCc3noc(C(C)C)n3)c(C)c2c1.
What is the InChIKey of 5-methoxy-N,3-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is MHLHYZFPLZKFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-11(2)18-21-16(22-26-18)8-9-23(4)19(24)17-12(3)14-10-13(25-5)6-7-15(14)20-17/h6-7,10-11,20H,8-9H2,1-5H3.
What are the key properties of 5-methoxy-N,3-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-2-carboxamide?
5-methoxy-N,3-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N,3-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 50967806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).