N-[3-(2-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide

C22H18N4O3 — CID 67197593

IUPACN-[3-(2-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
SMILESCOc1ccccc1-c1noc(NC(=O)Cc2ccccc2)c1-c1ccncn1
InChIInChI=1S/C22H18N4O3/c1-28-18-10-6-5-9-16(18)21-20(17-11-12-23-14-24-17)22(29-26-21)25-19(27)13-15-7-3-2-4-8-15/h2-12,14H,13H2,1H3,(H,25,27)
InChIKeyPSDBSXJZHKVESD-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.99
Rot. Bonds6

About N-[3-(2-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide

N-[3-(2-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide (PubChem CID 67197593) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
PubChem CID67197593
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC NameN-[3-(2-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
SMILESCOc1ccccc1-c1noc(NC(=O)Cc2ccccc2)c1-c1ccncn1
InChIInChI=1S/C22H18N4O3/c1-28-18-10-6-5-9-16(18)21-20(17-11-12-23-14-24-17)22(29-26-21)25-19(27)13-15-7-3-2-4-8-15/h2-12,14H,13H2,1H3,(H,25,27)
InChIKeyPSDBSXJZHKVESD-UHFFFAOYSA-N
XLogP3.99
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2,3-dimethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-fluorophenyl)acetamide
CID 67196340
N-[3-(2,6-dimethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
CID 57417789
2-phenyl-N-[4-pyrimidin-4-yl-3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]acetamide
CID 67196351
2-(2-chlorophenyl)-N-[3-(2-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67198674
2-(3-methylphenyl)-N-(3-phenyl-4-pyrimidin-4-yl-1,2-oxazol-5-yl)acetamide
CID 67200807
N-[3-(2-fluoro-4-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-methylphenyl)acetamide
CID 67198100
N-[3-(4-fluorophenyl)-4-(2-methoxypyrimidin-4-yl)-1,2-oxazol-5-yl]-2-phenylacetamide
CID 67195743
N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3,5-dimethoxyphenyl)acetamide
CID 67198919
2-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67194633
2-(2,4-difluorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67195580
N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 67198280
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-(2-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide?
The IUPAC name of N-[3-(2-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide (CID 67197593) is N-[3-(2-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide.
What is the SMILES notation for N-[3-(2-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide?
The canonical SMILES for N-[3-(2-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide is COc1ccccc1-c1noc(NC(=O)Cc2ccccc2)c1-c1ccncn1.
What is the InChIKey of N-[3-(2-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide?
The InChIKey is PSDBSXJZHKVESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-28-18-10-6-5-9-16(18)21-20(17-11-12-23-14-24-17)22(29-26-21)25-19(27)13-15-7-3-2-4-8-15/h2-12,14H,13H2,1H3,(H,25,27).
What are the key properties of N-[3-(2-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide?
N-[3-(2-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide has a molecular weight of 386.41 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide is sourced from PubChem (CID 67197593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).