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

C15H13ClFN3O3 — CID 75395006

IUPACN-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC1CCN(c2ccc(Cl)c(F)c2)C1=O
InChIInChI=1S/C15H13ClFN3O3/c1-8-13(18-7-23-8)14(21)19-12-4-5-20(15(12)22)9-2-3-10(16)11(17)6-9/h2-3,6-7,12H,4-5H2,1H3,(H,19,21)
InChIKeyLPIKSMCDZUAMSW-UHFFFAOYSA-N
MW337.74 g/mol
LogP2.31
Rot. Bonds3

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

N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 75395006) has the molecular formula C15H13ClFN3O3 and a molecular weight of 337.74 g/mol. Its IUPAC name is N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID75395006
Molecular FormulaC15H13ClFN3O3
Molecular Weight337.74 g/mol
Exact Mass337.06
IUPAC NameN-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC1CCN(c2ccc(Cl)c(F)c2)C1=O
InChIInChI=1S/C15H13ClFN3O3/c1-8-13(18-7-23-8)14(21)19-12-4-5-20(15(12)22)9-2-3-10(16)11(17)6-9/h2-3,6-7,12H,4-5H2,1H3,(H,19,21)
InChIKeyLPIKSMCDZUAMSW-UHFFFAOYSA-N
XLogP2.31
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.74
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide (CID 75395006) is N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)NC1CCN(c2ccc(Cl)c(F)c2)C1=O.
What is the InChIKey of N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is LPIKSMCDZUAMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O3/c1-8-13(18-7-23-8)14(21)19-12-4-5-20(15(12)22)9-2-3-10(16)11(17)6-9/h2-3,6-7,12H,4-5H2,1H3,(H,19,21).
What are the key properties of N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide?
N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 337.74 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 75395006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).