[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone

C16H21N5O2 — CID 71928019

IUPAC[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone
SMILESCC(C)c1ncc(C(=O)N2CCCC2c2noc(C3CC3)n2)[nH]1
InChIInChI=1S/C16H21N5O2/c1-9(2)13-17-8-11(18-13)16(22)21-7-3-4-12(21)14-19-15(23-20-14)10-5-6-10/h8-10,12H,3-7H2,1-2H3,(H,17,18)
InChIKeyYLAQNCRBBQFLMW-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.77
Rot. Bonds4

About [2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone

[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone (PubChem CID 71928019) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is [2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone
PubChem CID71928019
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone
SMILESCC(C)c1ncc(C(=O)N2CCCC2c2noc(C3CC3)n2)[nH]1
InChIInChI=1S/C16H21N5O2/c1-9(2)13-17-8-11(18-13)16(22)21-7-3-4-12(21)14-19-15(23-20-14)10-5-6-10/h8-10,12H,3-7H2,1-2H3,(H,17,18)
InChIKeyYLAQNCRBBQFLMW-UHFFFAOYSA-N
XLogP2.77
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone?
The IUPAC name of [2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone (CID 71928019) is [2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone.
What is the SMILES notation for [2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone?
The canonical SMILES for [2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone is CC(C)c1ncc(C(=O)N2CCCC2c2noc(C3CC3)n2)[nH]1.
What is the InChIKey of [2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone?
The InChIKey is YLAQNCRBBQFLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-9(2)13-17-8-11(18-13)16(22)21-7-3-4-12(21)14-19-15(23-20-14)10-5-6-10/h8-10,12H,3-7H2,1-2H3,(H,17,18).
What are the key properties of [2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone?
[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone has a molecular weight of 315.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone is sourced from PubChem (CID 71928019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).