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'}

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

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Related Compounds

N-[4-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[5-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-cyclopropyl-4-(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;5-cyclopropyl-N-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 158804652
N-[(3R,5S)-5-(3-cyclohexylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130386467
N-(1-benzylsulfonylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 122140778
5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)azetidin-3-yl]-1,2-oxazole-3-carboxamide
CID 129314817
tert-butyl (2S,4S)-2-benzyl-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-1-carboxylate
CID 118947483
5-cyclopropyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1,2-oxazole-3-carboxamide
CID 130386254
tert-butyl 4-[[(3S,4S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]methyl]piperidine-1-carboxylate;N-[(3S,4S)-1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;1-(5-cyclopropyl-1,2-oxazol-3-yl)-2-[(3S,4R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-4-methylpyrrolidin-3-yl]ethanone;N-[(3R,5S)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,5R)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 157050180
N-[1-(3-aminopropylsulfanyl)-2-benzylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 145040339
5-cyclopropyl-N-[(3R,4R)-1-cyclopropyl-4-hydroxypyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395206
N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 118947233
5-cyclopropyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 119041845
N-[4-(benzamidomethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130386430

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).