1-tert-butyl-4-[5-(cyclopentylmethyl)-1,3,4-oxadiazol-2-yl]-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one

C20H29N5O2 — CID 167983220

IUPAC1-tert-butyl-4-[5-(cyclopentylmethyl)-1,3,4-oxadiazol-2-yl]-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCn1cc(C2C(c3nnc(CC4CCCC4)o3)CC(=O)N2C(C)(C)C)cn1
InChIInChI=1S/C20H29N5O2/c1-20(2,3)25-17(26)10-15(18(25)14-11-21-24(4)12-14)19-23-22-16(27-19)9-13-7-5-6-8-13/h11-13,15,18H,5-10H2,1-4H3
InChIKeyZVIOXKCDJYAYDH-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.39
Rot. Bonds4

About 1-tert-butyl-4-[5-(cyclopentylmethyl)-1,3,4-oxadiazol-2-yl]-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one

1-tert-butyl-4-[5-(cyclopentylmethyl)-1,3,4-oxadiazol-2-yl]-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 167983220) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-tert-butyl-4-[5-(cyclopentylmethyl)-1,3,4-oxadiazol-2-yl]-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-[5-(cyclopentylmethyl)-1,3,4-oxadiazol-2-yl]-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID167983220
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name1-tert-butyl-4-[5-(cyclopentylmethyl)-1,3,4-oxadiazol-2-yl]-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCn1cc(C2C(c3nnc(CC4CCCC4)o3)CC(=O)N2C(C)(C)C)cn1
InChIInChI=1S/C20H29N5O2/c1-20(2,3)25-17(26)10-15(18(25)14-11-21-24(4)12-14)19-23-22-16(27-19)9-13-7-5-6-8-13/h11-13,15,18H,5-10H2,1-4H3
InChIKeyZVIOXKCDJYAYDH-UHFFFAOYSA-N
XLogP3.39
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(2R,3S)-1-tert-butyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methyl]-1-propan-2-ylguanidine
CID 120672125
2-[[(2R,3S)-1-tert-butyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 120672124
N-[[(2S,3R)-1-tert-butyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methyl]spiro[2.5]octane-6-carboxamide
CID 138036168
N-[[(2S,3R)-1-tert-butyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methyl]-5-fluoropyridine-3-carboxamide
CID 138036174
(2S)-N-[[(2R,3S)-1-tert-butyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methyl]-2-(2-fluorophenyl)propanamide
CID 129323788
(2S,3S)-1-tert-butyl-2-(1-methylpyrazol-4-yl)-5-oxo-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrolidine-3-carboxamide
CID 124864432
2-tert-butyl-5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95570899
N-[[(2R,3S)-1-tert-butyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 128967348
2-(cyclopentylmethyl)-5-methyl-1,3,4-oxadiazole
CID 53017482
4-cyclopentyl-1-methylpyrazole;propane-2,2-diol
CID 167462179
(4S,5R)-1-tert-butyl-4-[[(6-fluoroquinolin-8-yl)methylamino]methyl]-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 128992688
(4S,5R)-4-[[[(1S,2R)-2-benzylcyclopentyl]amino]methyl]-1-methyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 129337442

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[5-(cyclopentylmethyl)-1,3,4-oxadiazol-2-yl]-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 1-tert-butyl-4-[5-(cyclopentylmethyl)-1,3,4-oxadiazol-2-yl]-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one (CID 167983220) is 1-tert-butyl-4-[5-(cyclopentylmethyl)-1,3,4-oxadiazol-2-yl]-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-[5-(cyclopentylmethyl)-1,3,4-oxadiazol-2-yl]-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 1-tert-butyl-4-[5-(cyclopentylmethyl)-1,3,4-oxadiazol-2-yl]-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one is Cn1cc(C2C(c3nnc(CC4CCCC4)o3)CC(=O)N2C(C)(C)C)cn1.
What is the InChIKey of 1-tert-butyl-4-[5-(cyclopentylmethyl)-1,3,4-oxadiazol-2-yl]-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is ZVIOXKCDJYAYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-20(2,3)25-17(26)10-15(18(25)14-11-21-24(4)12-14)19-23-22-16(27-19)9-13-7-5-6-8-13/h11-13,15,18H,5-10H2,1-4H3.
What are the key properties of 1-tert-butyl-4-[5-(cyclopentylmethyl)-1,3,4-oxadiazol-2-yl]-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
1-tert-butyl-4-[5-(cyclopentylmethyl)-1,3,4-oxadiazol-2-yl]-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 371.49 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[5-(cyclopentylmethyl)-1,3,4-oxadiazol-2-yl]-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 167983220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).