5-cyclopropyl-3-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole

C19H21N5O — CID 71928464

IUPAC5-cyclopropyl-3-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCc1nc(CN2CCCC2c2noc(C3CC3)n2)nc2ccccc12
InChIInChI=1S/C19H21N5O/c1-12-14-5-2-3-6-15(14)21-17(20-12)11-24-10-4-7-16(24)18-22-19(25-23-18)13-8-9-13/h2-3,5-6,13,16H,4,7-11H2,1H3
InChIKeyLOUULUYRYBRHSW-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.54
Rot. Bonds4

About 5-cyclopropyl-3-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole

5-cyclopropyl-3-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 71928464) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-cyclopropyl-3-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID71928464
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name5-cyclopropyl-3-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCc1nc(CN2CCCC2c2noc(C3CC3)n2)nc2ccccc12
InChIInChI=1S/C19H21N5O/c1-12-14-5-2-3-6-15(14)21-17(20-12)11-24-10-4-7-16(24)18-22-19(25-23-18)13-8-9-13/h2-3,5-6,13,16H,4,7-11H2,1H3
InChIKeyLOUULUYRYBRHSW-UHFFFAOYSA-N
XLogP3.54
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 71928464) is 5-cyclopropyl-3-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole is Cc1nc(CN2CCCC2c2noc(C3CC3)n2)nc2ccccc12.
What is the InChIKey of 5-cyclopropyl-3-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is LOUULUYRYBRHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-12-14-5-2-3-6-15(14)21-17(20-12)11-24-10-4-7-16(24)18-22-19(25-23-18)13-8-9-13/h2-3,5-6,13,16H,4,7-11H2,1H3.
What are the key properties of 5-cyclopropyl-3-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 335.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 71928464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).