3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-oxazole-4-carboxamide

C16H16ClFN4O3 — CID 2810725

IUPAC3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCN1CCNC1=O
InChIInChI=1S/C16H16ClFN4O3/c1-9-12(15(23)19-5-7-22-8-6-20-16(22)24)14(21-25-9)13-10(17)3-2-4-11(13)18/h2-4H,5-8H2,1H3,(H,19,23)(H,20,24)
InChIKeyHMUCYNXPXAINOG-UHFFFAOYSA-N
MW366.78 g/mol
LogP2.20
Rot. Bonds5

About 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-oxazole-4-carboxamide

3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 2810725) has the molecular formula C16H16ClFN4O3 and a molecular weight of 366.78 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-oxazole-4-carboxamide
PubChem CID2810725
Molecular FormulaC16H16ClFN4O3
Molecular Weight366.78 g/mol
Exact Mass366.09
IUPAC Name3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCN1CCNC1=O
InChIInChI=1S/C16H16ClFN4O3/c1-9-12(15(23)19-5-7-22-8-6-20-16(22)24)14(21-25-9)13-10(17)3-2-4-11(13)18/h2-4H,5-8H2,1H3,(H,19,23)(H,20,24)
InChIKeyHMUCYNXPXAINOG-UHFFFAOYSA-N
XLogP2.20
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.78
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-oxazole-4-carboxamide (CID 2810725) is 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCN1CCNC1=O.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is HMUCYNXPXAINOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4O3/c1-9-12(15(23)19-5-7-22-8-6-20-16(22)24)14(21-25-9)13-10(17)3-2-4-11(13)18/h2-4H,5-8H2,1H3,(H,19,23)(H,20,24).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 366.78 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2810725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).