1-[3-[5-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-methylpropan-1-one

C17H26N4O2 — CID 164635213

IUPAC1-[3-[5-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC(c2noc([C@@H]3CCCN3CC3CC3)n2)C1
InChIInChI=1S/C17H26N4O2/c1-11(2)17(22)21-9-13(10-21)15-18-16(23-19-15)14-4-3-7-20(14)8-12-5-6-12/h11-14H,3-10H2,1-2H3/t14-/m0/s1
InChIKeyOCUWSXLAYMYZGK-AWEZNQCLSA-N
MW318.42 g/mol
LogP2.20
Rot. Bonds5

About 1-[3-[5-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-methylpropan-1-one

1-[3-[5-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-methylpropan-1-one (PubChem CID 164635213) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[3-[5-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-[5-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-methylpropan-1-one
PubChem CID164635213
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-[3-[5-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC(c2noc([C@@H]3CCCN3CC3CC3)n2)C1
InChIInChI=1S/C17H26N4O2/c1-11(2)17(22)21-9-13(10-21)15-18-16(23-19-15)14-4-3-7-20(14)8-12-5-6-12/h11-14H,3-10H2,1-2H3/t14-/m0/s1
InChIKeyOCUWSXLAYMYZGK-AWEZNQCLSA-N
XLogP2.20
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-[5-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclohex-3-en-1-yl-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone
CID 91921584
5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-propylsulfonylazetidin-3-yl)-1,2,4-oxadiazole
CID 91921544
1-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 91921534
5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-pyridin-3-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazole
CID 91921546
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 90564707
2-methyl-1-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one
CID 110876417
3-methyl-1-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]butan-1-one
CID 91918866
1-[3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-pyridin-3-ylethanone
CID 91921502
N-cyclopropyl-5-[(2S)-1-(oxan-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129330909
1-[2-[3-(1-acetylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one
CID 69255914
(2S)-1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2-methoxyethoxy)propan-1-one
CID 96999344
2-[3-(azetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylic acid
CID 69492114

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-[5-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-methylpropan-1-one (CID 164635213) is 1-[3-[5-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-[5-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-[5-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CC(c2noc([C@@H]3CCCN3CC3CC3)n2)C1.
What is the InChIKey of 1-[3-[5-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-methylpropan-1-one?
The InChIKey is OCUWSXLAYMYZGK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-11(2)17(22)21-9-13(10-21)15-18-16(23-19-15)14-4-3-7-20(14)8-12-5-6-12/h11-14H,3-10H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-[3-[5-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-methylpropan-1-one?
1-[3-[5-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-methylpropan-1-one has a molecular weight of 318.42 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 164635213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).