N-[4-(4-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]acetamide

C27H19ClN2O3 — CID 139917966

IUPACN-[4-(4-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]acetamide
SMILESCC(=O)Nc1oc(-c2ccc(-c3cccc4ccccc34)cc2O)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C27H19ClN2O3/c1-16(31)29-27-25(18-9-12-20(28)13-10-18)30-26(33-27)23-14-11-19(15-24(23)32)22-8-4-6-17-5-2-3-7-21(17)22/h2-15,32H,1H3,(H,29,31)
InChIKeyBVJXYEANXQASQK-UHFFFAOYSA-N
MW454.91 g/mol
LogP7.15
Rot. Bonds4

About N-[4-(4-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]acetamide

N-[4-(4-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]acetamide (PubChem CID 139917966) has the molecular formula C27H19ClN2O3 and a molecular weight of 454.91 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]acetamide
PubChem CID139917966
Molecular FormulaC27H19ClN2O3
Molecular Weight454.91 g/mol
Exact Mass454.11
IUPAC NameN-[4-(4-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]acetamide
SMILESCC(=O)Nc1oc(-c2ccc(-c3cccc4ccccc34)cc2O)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C27H19ClN2O3/c1-16(31)29-27-25(18-9-12-20(28)13-10-18)30-26(33-27)23-14-11-19(15-24(23)32)22-8-4-6-17-5-2-3-7-21(17)22/h2-15,32H,1H3,(H,29,31)
InChIKeyBVJXYEANXQASQK-UHFFFAOYSA-N
XLogP7.15
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.91
LogP ≤ 57.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]acetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]acetamide (CID 139917966) is N-[4-(4-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]acetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]acetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]acetamide is CC(=O)Nc1oc(-c2ccc(-c3cccc4ccccc34)cc2O)nc1-c1ccc(Cl)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]acetamide?
The InChIKey is BVJXYEANXQASQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClN2O3/c1-16(31)29-27-25(18-9-12-20(28)13-10-18)30-26(33-27)23-14-11-19(15-24(23)32)22-8-4-6-17-5-2-3-7-21(17)22/h2-15,32H,1H3,(H,29,31).
What are the key properties of N-[4-(4-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]acetamide?
N-[4-(4-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]acetamide has a molecular weight of 454.91 g/mol, XLogP of 7.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]acetamide is sourced from PubChem (CID 139917966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).