N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenoxyphenyl)formamide

C23H17ClN2O3 — CID 53432907

IUPACN-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenoxyphenyl)formamide
SMILESCc1onc(-c2ccccc2Cl)c1N(C=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H17ClN2O3/c1-16-23(22(25-29-16)20-9-5-6-10-21(20)24)26(15-27)17-11-13-19(14-12-17)28-18-7-3-2-4-8-18/h2-15H,1H3
InChIKeyHEMJWEOHQXPMOX-UHFFFAOYSA-N
MW404.85 g/mol
LogP6.39
Rot. Bonds6

About N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenoxyphenyl)formamide

N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenoxyphenyl)formamide (PubChem CID 53432907) has the molecular formula C23H17ClN2O3 and a molecular weight of 404.85 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenoxyphenyl)formamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenoxyphenyl)formamide
PubChem CID53432907
Molecular FormulaC23H17ClN2O3
Molecular Weight404.85 g/mol
Exact Mass404.09
IUPAC NameN-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenoxyphenyl)formamide
SMILESCc1onc(-c2ccccc2Cl)c1N(C=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H17ClN2O3/c1-16-23(22(25-29-16)20-9-5-6-10-21(20)24)26(15-27)17-11-13-19(14-12-17)28-18-7-3-2-4-8-18/h2-15H,1H3
InChIKeyHEMJWEOHQXPMOX-UHFFFAOYSA-N
XLogP6.39
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.85
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromophenyl)-N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamide
CID 53421717
N-(4,6-dichloropyrimidin-5-yl)-N-(4-phenoxyphenyl)formamide
CID 102431383
N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[4-(diethylamino)phenyl]formamide
CID 53432875
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl] formate
CID 174278900
1,3-diamino-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]urea
CID 138739382
N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]formamide
CID 57367410
3-(2-chlorophenyl)-N-(4-chlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 44605616
N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenyl-1,3-thiazol-2-yl)formamide
CID 53432877
3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 46232628
N,N-dibenzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 4651566
N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]formamide
CID 53432872
phenacyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 1016479

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenoxyphenyl)formamide?
The IUPAC name of N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenoxyphenyl)formamide (CID 53432907) is N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenoxyphenyl)formamide.
What is the SMILES notation for N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenoxyphenyl)formamide?
The canonical SMILES for N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenoxyphenyl)formamide is Cc1onc(-c2ccccc2Cl)c1N(C=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenoxyphenyl)formamide?
The InChIKey is HEMJWEOHQXPMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O3/c1-16-23(22(25-29-16)20-9-5-6-10-21(20)24)26(15-27)17-11-13-19(14-12-17)28-18-7-3-2-4-8-18/h2-15H,1H3.
What are the key properties of N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenoxyphenyl)formamide?
N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenoxyphenyl)formamide has a molecular weight of 404.85 g/mol, XLogP of 6.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenoxyphenyl)formamide is sourced from PubChem (CID 53432907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).