N-ethyl-3-(2-methylindol-1-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide

C18H22N4O2 — CID 46988254

IUPACN-ethyl-3-(2-methylindol-1-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
SMILESCCN(Cc1noc(C)n1)C(=O)CCn1c(C)cc2ccccc21
InChIInChI=1S/C18H22N4O2/c1-4-21(12-17-19-14(3)24-20-17)18(23)9-10-22-13(2)11-15-7-5-6-8-16(15)22/h5-8,11H,4,9-10,12H2,1-3H3
InChIKeyJNNVQFUSUZNREH-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.08
Rot. Bonds6

About N-ethyl-3-(2-methylindol-1-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide

N-ethyl-3-(2-methylindol-1-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide (PubChem CID 46988254) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-ethyl-3-(2-methylindol-1-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-(2-methylindol-1-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
PubChem CID46988254
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-ethyl-3-(2-methylindol-1-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
SMILESCCN(Cc1noc(C)n1)C(=O)CCn1c(C)cc2ccccc21
InChIInChI=1S/C18H22N4O2/c1-4-21(12-17-19-14(3)24-20-17)18(23)9-10-22-13(2)11-15-7-5-6-8-16(15)22/h5-8,11H,4,9-10,12H2,1-3H3
InChIKeyJNNVQFUSUZNREH-UHFFFAOYSA-N
XLogP3.08
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methylindol-1-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The IUPAC name of N-ethyl-3-(2-methylindol-1-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide (CID 46988254) is N-ethyl-3-(2-methylindol-1-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide.
What is the SMILES notation for N-ethyl-3-(2-methylindol-1-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The canonical SMILES for N-ethyl-3-(2-methylindol-1-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide is CCN(Cc1noc(C)n1)C(=O)CCn1c(C)cc2ccccc21.
What is the InChIKey of N-ethyl-3-(2-methylindol-1-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The InChIKey is JNNVQFUSUZNREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-4-21(12-17-19-14(3)24-20-17)18(23)9-10-22-13(2)11-15-7-5-6-8-16(15)22/h5-8,11H,4,9-10,12H2,1-3H3.
What are the key properties of N-ethyl-3-(2-methylindol-1-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
N-ethyl-3-(2-methylindol-1-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide has a molecular weight of 326.40 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methylindol-1-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide is sourced from PubChem (CID 46988254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).