1-(cyclopentanecarbonyl)-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-N-propylpyrrolidine-2-carboxamide

C24H31N3O3 — CID 110091614

IUPAC1-(cyclopentanecarbonyl)-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-N-propylpyrrolidine-2-carboxamide
SMILESCCCNC(=O)C1(Cc2cc(-c3ccccc3)no2)CCCN1C(=O)C1CCCC1
InChIInChI=1S/C24H31N3O3/c1-2-14-25-23(29)24(13-8-15-27(24)22(28)19-11-6-7-12-19)17-20-16-21(26-30-20)18-9-4-3-5-10-18/h3-5,9-10,16,19H,2,6-8,11-15,17H2,1H3,(H,25,29)
InChIKeyVMQRZQLHRVUXKC-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.96
Rot. Bonds7

About 1-(cyclopentanecarbonyl)-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-N-propylpyrrolidine-2-carboxamide

1-(cyclopentanecarbonyl)-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-N-propylpyrrolidine-2-carboxamide (PubChem CID 110091614) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-(cyclopentanecarbonyl)-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-N-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclopentanecarbonyl)-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-N-propylpyrrolidine-2-carboxamide
PubChem CID110091614
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name1-(cyclopentanecarbonyl)-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-N-propylpyrrolidine-2-carboxamide
SMILESCCCNC(=O)C1(Cc2cc(-c3ccccc3)no2)CCCN1C(=O)C1CCCC1
InChIInChI=1S/C24H31N3O3/c1-2-14-25-23(29)24(13-8-15-27(24)22(28)19-11-6-7-12-19)17-20-16-21(26-30-20)18-9-4-3-5-10-18/h3-5,9-10,16,19H,2,6-8,11-15,17H2,1H3,(H,25,29)
InChIKeyVMQRZQLHRVUXKC-UHFFFAOYSA-N
XLogP3.96
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentanecarbonyl)-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-N-propylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclopentanecarbonyl)-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-N-propylpyrrolidine-2-carboxamide (CID 110091614) is 1-(cyclopentanecarbonyl)-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-N-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclopentanecarbonyl)-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-N-propylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclopentanecarbonyl)-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-N-propylpyrrolidine-2-carboxamide is CCCNC(=O)C1(Cc2cc(-c3ccccc3)no2)CCCN1C(=O)C1CCCC1.
What is the InChIKey of 1-(cyclopentanecarbonyl)-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-N-propylpyrrolidine-2-carboxamide?
The InChIKey is VMQRZQLHRVUXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-2-14-25-23(29)24(13-8-15-27(24)22(28)19-11-6-7-12-19)17-20-16-21(26-30-20)18-9-4-3-5-10-18/h3-5,9-10,16,19H,2,6-8,11-15,17H2,1H3,(H,25,29).
What are the key properties of 1-(cyclopentanecarbonyl)-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-N-propylpyrrolidine-2-carboxamide?
1-(cyclopentanecarbonyl)-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-N-propylpyrrolidine-2-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentanecarbonyl)-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-N-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110091614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).