N-(2-chlorophenyl)-N-[3-(2,3-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide

C21H13ClF2N4O2 — CID 67198028

IUPACN-(2-chlorophenyl)-N-[3-(2,3-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESCC(=O)N(c1ccccc1Cl)c1onc(-c2cccc(F)c2F)c1-c1ccncn1
InChIInChI=1S/C21H13ClF2N4O2/c1-12(29)28(17-8-3-2-6-14(17)22)21-18(16-9-10-25-11-26-16)20(27-30-21)13-5-4-7-15(23)19(13)24/h2-11H,1H3
InChIKeyNHTJJRWJCRKWSG-UHFFFAOYSA-N
MW426.81 g/mol
LogP5.41
Rot. Bonds4

About N-(2-chlorophenyl)-N-[3-(2,3-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide

N-(2-chlorophenyl)-N-[3-(2,3-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (PubChem CID 67198028) has the molecular formula C21H13ClF2N4O2 and a molecular weight of 426.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N-[3-(2,3-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N-[3-(2,3-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
PubChem CID67198028
Molecular FormulaC21H13ClF2N4O2
Molecular Weight426.81 g/mol
Exact Mass426.07
IUPAC NameN-(2-chlorophenyl)-N-[3-(2,3-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESCC(=O)N(c1ccccc1Cl)c1onc(-c2cccc(F)c2F)c1-c1ccncn1
InChIInChI=1S/C21H13ClF2N4O2/c1-12(29)28(17-8-3-2-6-14(17)22)21-18(16-9-10-25-11-26-16)20(27-30-21)13-5-4-7-15(23)19(13)24/h2-11H,1H3
InChIKeyNHTJJRWJCRKWSG-UHFFFAOYSA-N
XLogP5.41
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.81
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-N-[3-(3,5-dichlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67197420
N-[3-(3,5-dichlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-fluorophenyl)acetamide
CID 67196567
N-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide
CID 69007145
N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3,5-difluorophenyl)acetamide
CID 67199795
N-[4-[2-(benzylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-(2-chlorophenyl)acetamide
CID 67196801
N-[3-(3-bromophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 67198546
N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-thiophen-3-ylacetamide
CID 67197595
N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3-propoxyphenyl)acetamide
CID 67196204
2-(2-chlorophenyl)-N-[3-(2-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67198674
3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine
CID 67199596
N-[3-(2,3-dimethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-fluorophenyl)acetamide
CID 67196340
N-[2-(N-acetyl-2,3-difluoroanilino)-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162428425

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N-[3-(2,3-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-N-[3-(2,3-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (CID 67198028) is N-(2-chlorophenyl)-N-[3-(2,3-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-N-[3-(2,3-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-N-[3-(2,3-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is CC(=O)N(c1ccccc1Cl)c1onc(-c2cccc(F)c2F)c1-c1ccncn1.
What is the InChIKey of N-(2-chlorophenyl)-N-[3-(2,3-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The InChIKey is NHTJJRWJCRKWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClF2N4O2/c1-12(29)28(17-8-3-2-6-14(17)22)21-18(16-9-10-25-11-26-16)20(27-30-21)13-5-4-7-15(23)19(13)24/h2-11H,1H3.
What are the key properties of N-(2-chlorophenyl)-N-[3-(2,3-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
N-(2-chlorophenyl)-N-[3-(2,3-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide has a molecular weight of 426.81 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N-[3-(2,3-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 67198028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).