[(3S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C21H29N5O2 — CID 57463709

IUPAC[(3S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCc1nnc(-c2ccc(N3CC[C@H](C(=O)N4CCN(C(C)C)CC4)C3)cc2)o1
InChIInChI=1S/C21H29N5O2/c1-15(2)24-10-12-25(13-11-24)21(27)18-8-9-26(14-18)19-6-4-17(5-7-19)20-23-22-16(3)28-20/h4-7,15,18H,8-14H2,1-3H3/t18-/m0/s1
InChIKeyRHMDXLFQFOBXOH-SFHVURJKSA-N
MW383.50 g/mol
LogP2.42
Rot. Bonds4

About [(3S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[(3S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 57463709) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is [(3S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(3S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID57463709
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name[(3S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCc1nnc(-c2ccc(N3CC[C@H](C(=O)N4CCN(C(C)C)CC4)C3)cc2)o1
InChIInChI=1S/C21H29N5O2/c1-15(2)24-10-12-25(13-11-24)21(27)18-8-9-26(14-18)19-6-4-17(5-7-19)20-23-22-16(3)28-20/h4-7,15,18H,8-14H2,1-3H3/t18-/m0/s1
InChIKeyRHMDXLFQFOBXOH-SFHVURJKSA-N
XLogP2.42
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 69185358
[(3S)-1-phenylpyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone;propan-2-one
CID 143211663
[(3S)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-3-yl]-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]methanone;hydrochloride
CID 69136130
[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 53166939
[4-(cyclopropylmethyl)piperazin-1-yl]-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-3-yl]methanone
CID 69187418
N-(1-aminoethylidene)-3-[(3S)-3-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzamide
CID 143211671
[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 53166928
[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 11486272
[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 72839491
4-[3-(3-methyl-4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile;hydrochloride
CID 69185991
azepan-1-yl-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
CID 53166848
1-[4-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]phenyl]ethanone
CID 25346954

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [(3S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 57463709) is [(3S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [(3S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [(3S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is Cc1nnc(-c2ccc(N3CC[C@H](C(=O)N4CCN(C(C)C)CC4)C3)cc2)o1.
What is the InChIKey of [(3S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is RHMDXLFQFOBXOH-SFHVURJKSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-15(2)24-10-12-25(13-11-24)21(27)18-8-9-26(14-18)19-6-4-17(5-7-19)20-23-22-16(3)28-20/h4-7,15,18H,8-14H2,1-3H3/t18-/m0/s1.
What are the key properties of [(3S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[(3S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 383.50 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 57463709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).