5-cyclopropyl-N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-4-methylidenepyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

C19H19Cl2N3O2 — CID 163428886

IUPAC5-cyclopropyl-N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-4-methylidenepyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESC=C1CN(Cc2ccc(Cl)cc2Cl)C[C@H]1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C19H19Cl2N3O2/c1-11-8-24(9-13-4-5-14(20)6-15(13)21)10-17(11)22-19(25)16-7-18(26-23-16)12-2-3-12/h4-7,12,17H,1-3,8-10H2,(H,22,25)/t17-/m1/s1
InChIKeyAOUKCUURGIQELN-QGZVFWFLSA-N
MW392.29 g/mol
LogP4.03
Rot. Bonds5

About 5-cyclopropyl-N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-4-methylidenepyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-4-methylidenepyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 163428886) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-4-methylidenepyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-4-methylidenepyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID163428886
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC Name5-cyclopropyl-N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-4-methylidenepyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESC=C1CN(Cc2ccc(Cl)cc2Cl)C[C@H]1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C19H19Cl2N3O2/c1-11-8-24(9-13-4-5-14(20)6-15(13)21)10-17(11)22-19(25)16-7-18(26-23-16)12-2-3-12/h4-7,12,17H,1-3,8-10H2,(H,22,25)/t17-/m1/s1
InChIKeyAOUKCUURGIQELN-QGZVFWFLSA-N
XLogP4.03
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-4-methylidenepyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-4-methylidenepyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 163428886) is 5-cyclopropyl-N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-4-methylidenepyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-4-methylidenepyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-4-methylidenepyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is C=C1CN(Cc2ccc(Cl)cc2Cl)C[C@H]1NC(=O)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-4-methylidenepyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is AOUKCUURGIQELN-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c1-11-8-24(9-13-4-5-14(20)6-15(13)21)10-17(11)22-19(25)16-7-18(26-23-16)12-2-3-12/h4-7,12,17H,1-3,8-10H2,(H,22,25)/t17-/m1/s1.
What are the key properties of 5-cyclopropyl-N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-4-methylidenepyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-4-methylidenepyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 392.29 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-4-methylidenepyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 163428886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).