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

C21H13Cl2FN4O2 — CID 67196567

IUPACN-[3-(3,5-dichlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-fluorophenyl)acetamide
SMILESCC(=O)N(c1ccccc1F)c1onc(-c2cc(Cl)cc(Cl)c2)c1-c1ccncn1
InChIInChI=1S/C21H13Cl2FN4O2/c1-12(29)28(18-5-3-2-4-16(18)24)21-19(17-6-7-25-11-26-17)20(27-30-21)13-8-14(22)10-15(23)9-13/h2-11H,1H3
InChIKeyMSCOUWXDQXLTQI-UHFFFAOYSA-N
MW443.27 g/mol
LogP5.93
Rot. Bonds4

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

N-[3-(3,5-dichlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 67196567) has the molecular formula C21H13Cl2FN4O2 and a molecular weight of 443.27 g/mol. Its IUPAC name is N-[3-(3,5-dichlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(3,5-dichlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-fluorophenyl)acetamide
PubChem CID67196567
Molecular FormulaC21H13Cl2FN4O2
Molecular Weight443.27 g/mol
Exact Mass442.04
IUPAC NameN-[3-(3,5-dichlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-fluorophenyl)acetamide
SMILESCC(=O)N(c1ccccc1F)c1onc(-c2cc(Cl)cc(Cl)c2)c1-c1ccncn1
InChIInChI=1S/C21H13Cl2FN4O2/c1-12(29)28(18-5-3-2-4-16(18)24)21-19(17-6-7-25-11-26-17)20(27-30-21)13-8-14(22)10-15(23)9-13/h2-11H,1H3
InChIKeyMSCOUWXDQXLTQI-UHFFFAOYSA-N
XLogP5.93
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.27
LogP ≤ 55.93
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-(2-chlorophenyl)-N-[3-(2,3-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67198028
N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3,5-difluorophenyl)acetamide
CID 67199795
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
N-[4-[2-(benzylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-(2-chlorophenyl)acetamide
CID 67196801
N-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide
CID 69007145
3-(3-chloro-4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine
CID 67197115
N-[3-(4-chloro-3-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylpropanamide
CID 69007371
N-[3-(4-chloro-2-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylpropanamide
CID 69009291
2-(2-chlorophenyl)-N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 25005874

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dichlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of N-[3-(3,5-dichlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-fluorophenyl)acetamide (CID 67196567) is N-[3-(3,5-dichlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[3-(3,5-dichlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[3-(3,5-dichlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-fluorophenyl)acetamide is CC(=O)N(c1ccccc1F)c1onc(-c2cc(Cl)cc(Cl)c2)c1-c1ccncn1.
What is the InChIKey of N-[3-(3,5-dichlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is MSCOUWXDQXLTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2FN4O2/c1-12(29)28(18-5-3-2-4-16(18)24)21-19(17-6-7-25-11-26-17)20(27-30-21)13-8-14(22)10-15(23)9-13/h2-11H,1H3.
What are the key properties of N-[3-(3,5-dichlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-fluorophenyl)acetamide?
N-[3-(3,5-dichlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 443.27 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dichlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 67196567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).