N-[(3S,4R)-1-(4-chlorophenyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

C18H20ClN3O2 — CID 130395363

IUPACN-[(3S,4R)-1-(4-chlorophenyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESC[C@@H]1CN(c2ccc(Cl)cc2)C[C@H]1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C18H20ClN3O2/c1-11-9-22(14-6-4-13(19)5-7-14)10-16(11)20-18(23)15-8-17(24-21-15)12-2-3-12/h4-8,11-12,16H,2-3,9-10H2,1H3,(H,20,23)/t11-,16-/m1/s1
InChIKeyWPIZNZXEWFXUKI-BDJLRTHQSA-N
MW345.83 g/mol
LogP3.46
Rot. Bonds4

About N-[(3S,4R)-1-(4-chlorophenyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-[(3S,4R)-1-(4-chlorophenyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 130395363) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[(3S,4R)-1-(4-chlorophenyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(4-chlorophenyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID130395363
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-[(3S,4R)-1-(4-chlorophenyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESC[C@@H]1CN(c2ccc(Cl)cc2)C[C@H]1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C18H20ClN3O2/c1-11-9-22(14-6-4-13(19)5-7-14)10-16(11)20-18(23)15-8-17(24-21-15)12-2-3-12/h4-8,11-12,16H,2-3,9-10H2,1H3,(H,20,23)/t11-,16-/m1/s1
InChIKeyWPIZNZXEWFXUKI-BDJLRTHQSA-N
XLogP3.46
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-(4-chlorophenyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3S,4R)-1-(4-chlorophenyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 130395363) is N-[(3S,4R)-1-(4-chlorophenyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-1-(4-chlorophenyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-1-(4-chlorophenyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is C[C@@H]1CN(c2ccc(Cl)cc2)C[C@H]1NC(=O)c1cc(C2CC2)on1.
What is the InChIKey of N-[(3S,4R)-1-(4-chlorophenyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is WPIZNZXEWFXUKI-BDJLRTHQSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-11-9-22(14-6-4-13(19)5-7-14)10-16(11)20-18(23)15-8-17(24-21-15)12-2-3-12/h4-8,11-12,16H,2-3,9-10H2,1H3,(H,20,23)/t11-,16-/m1/s1.
What are the key properties of N-[(3S,4R)-1-(4-chlorophenyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[(3S,4R)-1-(4-chlorophenyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-(4-chlorophenyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130395363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).