3-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazol-2-one

C17H20N4O3 — CID 71934041

IUPAC3-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazol-2-one
SMILESCc1nc(C2CCCN2CCCn2c(=O)oc3ccccc32)no1
InChIInChI=1S/C17H20N4O3/c1-12-18-16(19-24-12)14-7-4-9-20(14)10-5-11-21-13-6-2-3-8-15(13)23-17(21)22/h2-3,6,8,14H,4-5,7,9-11H2,1H3
InChIKeyCBUNBLZTSZKAIN-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.51
Rot. Bonds5

About 3-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazol-2-one

3-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazol-2-one (PubChem CID 71934041) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazol-2-one
PubChem CID71934041
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name3-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazol-2-one
SMILESCc1nc(C2CCCN2CCCn2c(=O)oc3ccccc32)no1
InChIInChI=1S/C17H20N4O3/c1-12-18-16(19-24-12)14-7-4-9-20(14)10-5-11-21-13-6-2-3-8-15(13)23-17(21)22/h2-3,6,8,14H,4-5,7,9-11H2,1H3
InChIKeyCBUNBLZTSZKAIN-UHFFFAOYSA-N
XLogP2.51
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazol-2-one with MolForge

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Related Compounds

3-[3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazol-2-one
CID 95569735
3-[3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propyl]-1,3-benzoxazol-2-one
CID 95609452
3-[3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propyl]-1,3-benzoxazol-2-one
CID 95323720
3-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one
CID 71875556
3-[2-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 94032773
5-methyl-3-[(2R)-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 96508274
N-[cyclopropyl(phenyl)methyl]-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide
CID 75369068
3-[3-(cyclopentylamino)propyl]-1,3-benzoxazol-2-one
CID 55087544
3-[2-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one
CID 95780007
3-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]ethyl]-1,3-benzoxazol-2-one
CID 56708108
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]piperidine-1-carboxamide
CID 146125380
3-[4-[4-(cyclopropylmethyl)piperazin-1-yl]butyl]-1,3-benzoxazol-2-one
CID 59629994

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazol-2-one (CID 71934041) is 3-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazol-2-one is Cc1nc(C2CCCN2CCCn2c(=O)oc3ccccc32)no1.
What is the InChIKey of 3-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazol-2-one?
The InChIKey is CBUNBLZTSZKAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-12-18-16(19-24-12)14-7-4-9-20(14)10-5-11-21-13-6-2-3-8-15(13)23-17(21)22/h2-3,6,8,14H,4-5,7,9-11H2,1H3.
What are the key properties of 3-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazol-2-one?
3-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazol-2-one has a molecular weight of 328.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 71934041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).