3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]propan-1-one

C15H21ClN4O4 — CID 56909666

IUPAC3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]propan-1-one
SMILESO=C(C1CNCCN1C(=O)CCc1cc(Cl)no1)N1CCOCC1
InChIInChI=1S/C15H21ClN4O4/c16-13-9-11(24-18-13)1-2-14(21)20-4-3-17-10-12(20)15(22)19-5-7-23-8-6-19/h9,12,17H,1-8,10H2
InChIKeyMNWGOCSVCBFDTP-UHFFFAOYSA-N
MW356.81 g/mol
LogP-0.08
Rot. Bonds4

About 3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]propan-1-one

3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 56909666) has the molecular formula C15H21ClN4O4 and a molecular weight of 356.81 g/mol. Its IUPAC name is 3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID56909666
Molecular FormulaC15H21ClN4O4
Molecular Weight356.81 g/mol
Exact Mass356.13
IUPAC Name3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]propan-1-one
SMILESO=C(C1CNCCN1C(=O)CCc1cc(Cl)no1)N1CCOCC1
InChIInChI=1S/C15H21ClN4O4/c16-13-9-11(24-18-13)1-2-14(21)20-4-3-17-10-12(20)15(22)19-5-7-23-8-6-19/h9,12,17H,1-8,10H2
InChIKeyMNWGOCSVCBFDTP-UHFFFAOYSA-N
XLogP-0.08
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]propan-1-one (CID 56909666) is 3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]propan-1-one is O=C(C1CNCCN1C(=O)CCc1cc(Cl)no1)N1CCOCC1.
What is the InChIKey of 3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is MNWGOCSVCBFDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O4/c16-13-9-11(24-18-13)1-2-14(21)20-4-3-17-10-12(20)15(22)19-5-7-23-8-6-19/h9,12,17H,1-8,10H2.
What are the key properties of 3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]propan-1-one?
3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 356.81 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 56909666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).