5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

C17H27N3O2 — CID 130386667

IUPAC5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESCC(C)CCN1C[C@@H](C)[C@@H](NC(=O)c2cc(C3CC3)on2)C1
InChIInChI=1S/C17H27N3O2/c1-11(2)6-7-20-9-12(3)15(10-20)18-17(21)14-8-16(22-19-14)13-4-5-13/h8,11-13,15H,4-7,9-10H2,1-3H3,(H,18,21)/t12-,15+/m1/s1
InChIKeyHAIMTVYDHSNWDI-DOMZBBRYSA-N
MW305.42 g/mol
LogP2.65
Rot. Bonds6

About 5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 130386667) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID130386667
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESCC(C)CCN1C[C@@H](C)[C@@H](NC(=O)c2cc(C3CC3)on2)C1
InChIInChI=1S/C17H27N3O2/c1-11(2)6-7-20-9-12(3)15(10-20)18-17(21)14-8-16(22-19-14)13-4-5-13/h8,11-13,15H,4-7,9-10H2,1-3H3,(H,18,21)/t12-,15+/m1/s1
InChIKeyHAIMTVYDHSNWDI-DOMZBBRYSA-N
XLogP2.65
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 130386667) is 5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is CC(C)CCN1C[C@@H](C)[C@@H](NC(=O)c2cc(C3CC3)on2)C1.
What is the InChIKey of 5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is HAIMTVYDHSNWDI-DOMZBBRYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-11(2)6-7-20-9-12(3)15(10-20)18-17(21)14-8-16(22-19-14)13-4-5-13/h8,11-13,15H,4-7,9-10H2,1-3H3,(H,18,21)/t12-,15+/m1/s1.
What are the key properties of 5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130386667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).