4-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-3H-1,3-oxazol-2-one

C20H20ClN3O2 — CID 3078398

IUPAC4-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-3H-1,3-oxazol-2-one
SMILESO=c1[nH]c(-c2ccc(Cl)cc2)c(CN2CCN(c3ccccc3)CC2)o1
InChIInChI=1S/C20H20ClN3O2/c21-16-8-6-15(7-9-16)19-18(26-20(25)22-19)14-23-10-12-24(13-11-23)17-4-2-1-3-5-17/h1-9H,10-14H2,(H,22,25)
InChIKeyDXIGFCNFNIJASA-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.61
Rot. Bonds4

About 4-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-3H-1,3-oxazol-2-one

4-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-3H-1,3-oxazol-2-one (PubChem CID 3078398) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-3H-1,3-oxazol-2-one
PubChem CID3078398
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name4-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-3H-1,3-oxazol-2-one
SMILESO=c1[nH]c(-c2ccc(Cl)cc2)c(CN2CCN(c3ccccc3)CC2)o1
InChIInChI=1S/C20H20ClN3O2/c21-16-8-6-15(7-9-16)19-18(26-20(25)22-19)14-23-10-12-24(13-11-23)17-4-2-1-3-5-17/h1-9H,10-14H2,(H,22,25)
InChIKeyDXIGFCNFNIJASA-UHFFFAOYSA-N
XLogP3.61
TPSA52.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-3H-1,3-oxazol-2-one?
The IUPAC name of 4-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-3H-1,3-oxazol-2-one (CID 3078398) is 4-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-3H-1,3-oxazol-2-one.
What is the SMILES notation for 4-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-3H-1,3-oxazol-2-one?
The canonical SMILES for 4-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-3H-1,3-oxazol-2-one is O=c1[nH]c(-c2ccc(Cl)cc2)c(CN2CCN(c3ccccc3)CC2)o1.
What is the InChIKey of 4-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-3H-1,3-oxazol-2-one?
The InChIKey is DXIGFCNFNIJASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c21-16-8-6-15(7-9-16)19-18(26-20(25)22-19)14-23-10-12-24(13-11-23)17-4-2-1-3-5-17/h1-9H,10-14H2,(H,22,25).
What are the key properties of 4-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-3H-1,3-oxazol-2-one?
4-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-3H-1,3-oxazol-2-one has a molecular weight of 369.85 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-3H-1,3-oxazol-2-one is sourced from PubChem (CID 3078398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).