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

C18H22N4O3 — CID 50962755

IUPACN-ethyl-5-methoxy-1,2-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-3-carboxamide
SMILESCCN(Cc1noc(C)n1)C(=O)c1c(C)n(C)c2ccc(OC)cc12
InChIInChI=1S/C18H22N4O3/c1-6-22(10-16-19-12(3)25-20-16)18(23)17-11(2)21(4)15-8-7-13(24-5)9-14(15)17/h7-9H,6,10H2,1-5H3
InChIKeyPVTLMROVLPKYJS-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.85
Rot. Bonds5

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

N-ethyl-5-methoxy-1,2-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-3-carboxamide (PubChem CID 50962755) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-ethyl-5-methoxy-1,2-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-methoxy-1,2-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-3-carboxamide
PubChem CID50962755
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-ethyl-5-methoxy-1,2-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-3-carboxamide
SMILESCCN(Cc1noc(C)n1)C(=O)c1c(C)n(C)c2ccc(OC)cc12
InChIInChI=1S/C18H22N4O3/c1-6-22(10-16-19-12(3)25-20-16)18(23)17-11(2)21(4)15-8-7-13(24-5)9-14(15)17/h7-9H,6,10H2,1-5H3
InChIKeyPVTLMROVLPKYJS-UHFFFAOYSA-N
XLogP2.85
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methoxy-1,2-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-3-carboxamide?
The IUPAC name of N-ethyl-5-methoxy-1,2-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-3-carboxamide (CID 50962755) is N-ethyl-5-methoxy-1,2-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-methoxy-1,2-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-3-carboxamide?
The canonical SMILES for N-ethyl-5-methoxy-1,2-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-3-carboxamide is CCN(Cc1noc(C)n1)C(=O)c1c(C)n(C)c2ccc(OC)cc12.
What is the InChIKey of N-ethyl-5-methoxy-1,2-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-3-carboxamide?
The InChIKey is PVTLMROVLPKYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-6-22(10-16-19-12(3)25-20-16)18(23)17-11(2)21(4)15-8-7-13(24-5)9-14(15)17/h7-9H,6,10H2,1-5H3.
What are the key properties of N-ethyl-5-methoxy-1,2-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-3-carboxamide?
N-ethyl-5-methoxy-1,2-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methoxy-1,2-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-3-carboxamide is sourced from PubChem (CID 50962755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).