N-(5-cyclopropyl-5-methyl-1-phenylpyrrolidin-3-yl)-1,2-oxazole-3-carboxamide

C18H21N3O2 — CID 153469934

IUPACN-(5-cyclopropyl-5-methyl-1-phenylpyrrolidin-3-yl)-1,2-oxazole-3-carboxamide
SMILESCC1(C2CC2)CC(NC(=O)c2ccon2)CN1c1ccccc1
InChIInChI=1S/C18H21N3O2/c1-18(13-7-8-13)11-14(19-17(22)16-9-10-23-20-16)12-21(18)15-5-3-2-4-6-15/h2-6,9-10,13-14H,7-8,11-12H2,1H3,(H,19,22)
InChIKeyYRLZZPIJJTYOAA-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.85
Rot. Bonds4

About N-(5-cyclopropyl-5-methyl-1-phenylpyrrolidin-3-yl)-1,2-oxazole-3-carboxamide

N-(5-cyclopropyl-5-methyl-1-phenylpyrrolidin-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 153469934) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(5-cyclopropyl-5-methyl-1-phenylpyrrolidin-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-5-methyl-1-phenylpyrrolidin-3-yl)-1,2-oxazole-3-carboxamide
PubChem CID153469934
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-(5-cyclopropyl-5-methyl-1-phenylpyrrolidin-3-yl)-1,2-oxazole-3-carboxamide
SMILESCC1(C2CC2)CC(NC(=O)c2ccon2)CN1c1ccccc1
InChIInChI=1S/C18H21N3O2/c1-18(13-7-8-13)11-14(19-17(22)16-9-10-23-20-16)12-21(18)15-5-3-2-4-6-15/h2-6,9-10,13-14H,7-8,11-12H2,1H3,(H,19,22)
InChIKeyYRLZZPIJJTYOAA-UHFFFAOYSA-N
XLogP2.85
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-5-methyl-1-phenylpyrrolidin-3-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5-cyclopropyl-5-methyl-1-phenylpyrrolidin-3-yl)-1,2-oxazole-3-carboxamide (CID 153469934) is N-(5-cyclopropyl-5-methyl-1-phenylpyrrolidin-3-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-5-methyl-1-phenylpyrrolidin-3-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-5-methyl-1-phenylpyrrolidin-3-yl)-1,2-oxazole-3-carboxamide is CC1(C2CC2)CC(NC(=O)c2ccon2)CN1c1ccccc1.
What is the InChIKey of N-(5-cyclopropyl-5-methyl-1-phenylpyrrolidin-3-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is YRLZZPIJJTYOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-18(13-7-8-13)11-14(19-17(22)16-9-10-23-20-16)12-21(18)15-5-3-2-4-6-15/h2-6,9-10,13-14H,7-8,11-12H2,1H3,(H,19,22).
What are the key properties of N-(5-cyclopropyl-5-methyl-1-phenylpyrrolidin-3-yl)-1,2-oxazole-3-carboxamide?
N-(5-cyclopropyl-5-methyl-1-phenylpyrrolidin-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-5-methyl-1-phenylpyrrolidin-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 153469934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).