[3-methyl-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone

C18H24N4O2 — CID 51100846

IUPAC[3-methyl-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone
SMILESCCCc1noc(CNc2ccc(C(=O)N3CCCC3)cc2C)n1
InChIInChI=1S/C18H24N4O2/c1-3-6-16-20-17(24-21-16)12-19-15-8-7-14(11-13(15)2)18(23)22-9-4-5-10-22/h7-8,11,19H,3-6,9-10,12H2,1-2H3
InChIKeyBSGOBFOMDMHQRI-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.18
Rot. Bonds6

About [3-methyl-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone

[3-methyl-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 51100846) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [3-methyl-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-methyl-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID51100846
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[3-methyl-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone
SMILESCCCc1noc(CNc2ccc(C(=O)N3CCCC3)cc2C)n1
InChIInChI=1S/C18H24N4O2/c1-3-6-16-20-17(24-21-16)12-19-15-8-7-14(11-13(15)2)18(23)22-9-4-5-10-22/h7-8,11,19H,3-6,9-10,12H2,1-2H3
InChIKeyBSGOBFOMDMHQRI-UHFFFAOYSA-N
XLogP3.18
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-methyl-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone (CID 51100846) is [3-methyl-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-methyl-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-methyl-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone is CCCc1noc(CNc2ccc(C(=O)N3CCCC3)cc2C)n1.
What is the InChIKey of [3-methyl-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is BSGOBFOMDMHQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-6-16-20-17(24-21-16)12-19-15-8-7-14(11-13(15)2)18(23)22-9-4-5-10-22/h7-8,11,19H,3-6,9-10,12H2,1-2H3.
What are the key properties of [3-methyl-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone?
[3-methyl-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 328.42 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 51100846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).