5-cyclopropyl-N-[1-cyclopropyl-5-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

C24H27N3O3 — CID 130386318

IUPAC5-cyclopropyl-N-[1-cyclopropyl-5-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CC(COCC#Cc2ccccc2)N(C2CC2)C1)c1cc(C2CC2)on1
InChIInChI=1S/C24H27N3O3/c28-24(22-14-23(30-26-22)18-8-9-18)25-19-13-21(27(15-19)20-10-11-20)16-29-12-4-7-17-5-2-1-3-6-17/h1-3,5-6,14,18-21H,8-13,15-16H2,(H,25,28)
InChIKeyZLEZSBGUQLKQAL-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.96
Rot. Bonds7

About 5-cyclopropyl-N-[1-cyclopropyl-5-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[1-cyclopropyl-5-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 130386318) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-cyclopropyl-5-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-cyclopropyl-5-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID130386318
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name5-cyclopropyl-N-[1-cyclopropyl-5-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CC(COCC#Cc2ccccc2)N(C2CC2)C1)c1cc(C2CC2)on1
InChIInChI=1S/C24H27N3O3/c28-24(22-14-23(30-26-22)18-8-9-18)25-19-13-21(27(15-19)20-10-11-20)16-29-12-4-7-17-5-2-1-3-6-17/h1-3,5-6,14,18-21H,8-13,15-16H2,(H,25,28)
InChIKeyZLEZSBGUQLKQAL-UHFFFAOYSA-N
XLogP2.96
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-cyclopropyl-5-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1-cyclopropyl-5-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 130386318) is 5-cyclopropyl-N-[1-cyclopropyl-5-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1-cyclopropyl-5-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1-cyclopropyl-5-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is O=C(NC1CC(COCC#Cc2ccccc2)N(C2CC2)C1)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[1-cyclopropyl-5-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is ZLEZSBGUQLKQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c28-24(22-14-23(30-26-22)18-8-9-18)25-19-13-21(27(15-19)20-10-11-20)16-29-12-4-7-17-5-2-1-3-6-17/h1-3,5-6,14,18-21H,8-13,15-16H2,(H,25,28).
What are the key properties of 5-cyclopropyl-N-[1-cyclopropyl-5-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[1-cyclopropyl-5-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-cyclopropyl-5-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130386318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).