1-[4-[3-(4-chlorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carbonyl]piperazin-1-yl]ethanone

C18H20ClN3O4 — CID 100631588

IUPAC1-[4-[3-(4-chlorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2onc(-c3ccc(Cl)cc3)c2[C@H](C)O)CC1
InChIInChI=1S/C18H20ClN3O4/c1-11(23)15-16(13-3-5-14(19)6-4-13)20-26-17(15)18(25)22-9-7-21(8-10-22)12(2)24/h3-6,11,23H,7-10H2,1-2H3/t11-/m0/s1
InChIKeyUJZWFUIVMYBMCI-NSHDSACASA-N
MW377.83 g/mol
LogP2.35
Rot. Bonds3

About 1-[4-[3-(4-chlorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carbonyl]piperazin-1-yl]ethanone

1-[4-[3-(4-chlorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carbonyl]piperazin-1-yl]ethanone (PubChem CID 100631588) has the molecular formula C18H20ClN3O4 and a molecular weight of 377.83 g/mol. Its IUPAC name is 1-[4-[3-(4-chlorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(4-chlorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carbonyl]piperazin-1-yl]ethanone
PubChem CID100631588
Molecular FormulaC18H20ClN3O4
Molecular Weight377.83 g/mol
Exact Mass377.11
IUPAC Name1-[4-[3-(4-chlorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2onc(-c3ccc(Cl)cc3)c2[C@H](C)O)CC1
InChIInChI=1S/C18H20ClN3O4/c1-11(23)15-16(13-3-5-14(19)6-4-13)20-26-17(15)18(25)22-9-7-21(8-10-22)12(2)24/h3-6,11,23H,7-10H2,1-2H3/t11-/m0/s1
InChIKeyUJZWFUIVMYBMCI-NSHDSACASA-N
XLogP2.35
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-chlorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(4-chlorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carbonyl]piperazin-1-yl]ethanone (CID 100631588) is 1-[4-[3-(4-chlorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(4-chlorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(4-chlorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2onc(-c3ccc(Cl)cc3)c2[C@H](C)O)CC1.
What is the InChIKey of 1-[4-[3-(4-chlorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is UJZWFUIVMYBMCI-NSHDSACASA-N. The full InChI is InChI=1S/C18H20ClN3O4/c1-11(23)15-16(13-3-5-14(19)6-4-13)20-26-17(15)18(25)22-9-7-21(8-10-22)12(2)24/h3-6,11,23H,7-10H2,1-2H3/t11-/m0/s1.
What are the key properties of 1-[4-[3-(4-chlorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carbonyl]piperazin-1-yl]ethanone?
1-[4-[3-(4-chlorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 377.83 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-chlorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 100631588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).