2-chloro-N-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide

C23H17ClN2O2 — CID 44548374

IUPAC2-chloro-N-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide
SMILESCc1oc(-c2ccc(NC(=O)c3ccccc3Cl)cc2)nc1-c1ccccc1
InChIInChI=1S/C23H17ClN2O2/c1-15-21(16-7-3-2-4-8-16)26-23(28-15)17-11-13-18(14-12-17)25-22(27)19-9-5-6-10-20(19)24/h2-14H,1H3,(H,25,27)
InChIKeyZRNCTFRKDRWUBT-UHFFFAOYSA-N
MW388.85 g/mol
LogP6.22
Rot. Bonds4

About 2-chloro-N-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide

2-chloro-N-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide (PubChem CID 44548374) has the molecular formula C23H17ClN2O2 and a molecular weight of 388.85 g/mol. Its IUPAC name is 2-chloro-N-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide
PubChem CID44548374
Molecular FormulaC23H17ClN2O2
Molecular Weight388.85 g/mol
Exact Mass388.10
IUPAC Name2-chloro-N-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide
SMILESCc1oc(-c2ccc(NC(=O)c3ccccc3Cl)cc2)nc1-c1ccccc1
InChIInChI=1S/C23H17ClN2O2/c1-15-21(16-7-3-2-4-8-16)26-23(28-15)17-11-13-18(14-12-17)25-22(27)19-9-5-6-10-20(19)24/h2-14H,1H3,(H,25,27)
InChIKeyZRNCTFRKDRWUBT-UHFFFAOYSA-N
XLogP6.22
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.85
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide (CID 44548374) is 2-chloro-N-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide is Cc1oc(-c2ccc(NC(=O)c3ccccc3Cl)cc2)nc1-c1ccccc1.
What is the InChIKey of 2-chloro-N-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide?
The InChIKey is ZRNCTFRKDRWUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O2/c1-15-21(16-7-3-2-4-8-16)26-23(28-15)17-11-13-18(14-12-17)25-22(27)19-9-5-6-10-20(19)24/h2-14H,1H3,(H,25,27).
What are the key properties of 2-chloro-N-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide?
2-chloro-N-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide has a molecular weight of 388.85 g/mol, XLogP of 6.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 44548374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).