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

C15H21ClN4O3 — CID 56895141

IUPAC3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]propan-1-one
SMILESO=C(C1CNCCN1C(=O)CCc1cc(Cl)no1)N1CCCC1
InChIInChI=1S/C15H21ClN4O3/c16-13-9-11(23-18-13)3-4-14(21)20-8-5-17-10-12(20)15(22)19-6-1-2-7-19/h9,12,17H,1-8,10H2
InChIKeyHQECTEHCBAJOLX-UHFFFAOYSA-N
MW340.81 g/mol
LogP0.68
Rot. Bonds4

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

3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 56895141) has the molecular formula C15H21ClN4O3 and a molecular weight of 340.81 g/mol. Its IUPAC name is 3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID56895141
Molecular FormulaC15H21ClN4O3
Molecular Weight340.81 g/mol
Exact Mass340.13
IUPAC Name3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]propan-1-one
SMILESO=C(C1CNCCN1C(=O)CCc1cc(Cl)no1)N1CCCC1
InChIInChI=1S/C15H21ClN4O3/c16-13-9-11(23-18-13)3-4-14(21)20-8-5-17-10-12(20)15(22)19-6-1-2-7-19/h9,12,17H,1-8,10H2
InChIKeyHQECTEHCBAJOLX-UHFFFAOYSA-N
XLogP0.68
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

rel-(3aS,6aS)-1-[3-(3-chloro-5-isoxazolyl)propanoyl]octahydropyrrolo[3,4-b]pyrrole hydrochloride
CID 70755940
(4S)-4-amino-1-[3-(3-chloroisoxazol-5-yl)propanoyl]-N,N-diethyl-L-prolinamide
CID 56710747
4-[3-(3-Chloroisoxazol-5-yl)propanoyl]-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane
CID 56740997
2-[3-(3-Chloroisoxazol-5-yl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 56754401
3-[3-(3-Chloroisoxazol-5-yl)propanoyl]-3,9-diazaspiro[5.5]undecane
CID 56867924
4-({1-[3-(3-Chloro-5-isoxazolyl)propanoyl]-2-piperazinyl}carbonyl)morpholine
CID 56909666
3-{4-[3-(3-chloroisoxazol-5-yl)propanoyl]piperazin-1-yl}pyrazin-2(1H)-one
CID 90653077
3-(3-chloro-1,2-oxazol-5-yl)-N-[(3R)-thiolan-3-yl]propanamide
CID 29218345
3-(3-chloro-1,2-oxazol-5-yl)-N-[(3S)-thiolan-3-yl]propanamide
CID 29218349
3-(3-chloro-5-isoxazolyl)-N-(tetrahydro-3-thienyl)propanamide
CID 45203025
8-[3-(3-chloroisoxazol-5-yl)propanoyl]-2-methyltetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4(3H,6H)-dione
CID 50981512
(4R)-4-amino-1-[3-(3-chloroisoxazol-5-yl)propanoyl]-N,N-diethyl-L-prolinamide
CID 56711448

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]propan-1-one (CID 56895141) is 3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]propan-1-one is O=C(C1CNCCN1C(=O)CCc1cc(Cl)no1)N1CCCC1.
What is the InChIKey of 3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is HQECTEHCBAJOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O3/c16-13-9-11(23-18-13)3-4-14(21)20-8-5-17-10-12(20)15(22)19-6-1-2-7-19/h9,12,17H,1-8,10H2.
What are the key properties of 3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]propan-1-one?
3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 340.81 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 56895141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).