N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide

C15H15ClFN3O2 — CID 75498667

IUPACN-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC2CCN(c3ccc(F)c(Cl)c3)C2)on1
InChIInChI=1S/C15H15ClFN3O2/c1-9-6-14(22-19-9)15(21)18-10-4-5-20(8-10)11-2-3-13(17)12(16)7-11/h2-3,6-7,10H,4-5,8H2,1H3,(H,18,21)
InChIKeyLKUBZDKGWSXMIY-UHFFFAOYSA-N
MW323.76 g/mol
LogP2.78
Rot. Bonds3

About N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide

N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 75498667) has the molecular formula C15H15ClFN3O2 and a molecular weight of 323.76 g/mol. Its IUPAC name is N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID75498667
Molecular FormulaC15H15ClFN3O2
Molecular Weight323.76 g/mol
Exact Mass323.08
IUPAC NameN-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC2CCN(c3ccc(F)c(Cl)c3)C2)on1
InChIInChI=1S/C15H15ClFN3O2/c1-9-6-14(22-19-9)15(21)18-10-4-5-20(8-10)11-2-3-13(17)12(16)7-11/h2-3,6-7,10H,4-5,8H2,1H3,(H,18,21)
InChIKeyLKUBZDKGWSXMIY-UHFFFAOYSA-N
XLogP2.78
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.76
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide (CID 75498667) is N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NC2CCN(c3ccc(F)c(Cl)c3)C2)on1.
What is the InChIKey of N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is LKUBZDKGWSXMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O2/c1-9-6-14(22-19-9)15(21)18-10-4-5-20(8-10)11-2-3-13(17)12(16)7-11/h2-3,6-7,10H,4-5,8H2,1H3,(H,18,21).
What are the key properties of N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 323.76 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 75498667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).