2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]hexan-1-one

C15H26N4O2 — CID 60940039

IUPAC2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]hexan-1-one
SMILESCCCCC(N)C(=O)N1CCN(Cc2cc(C)no2)CC1
InChIInChI=1S/C15H26N4O2/c1-3-4-5-14(16)15(20)19-8-6-18(7-9-19)11-13-10-12(2)17-21-13/h10,14H,3-9,11,16H2,1-2H3
InChIKeyOAFHOXAIWIHQED-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.14
Rot. Bonds6

About 2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]hexan-1-one

2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]hexan-1-one (PubChem CID 60940039) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]hexan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]hexan-1-one
PubChem CID60940039
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]hexan-1-one
SMILESCCCCC(N)C(=O)N1CCN(Cc2cc(C)no2)CC1
InChIInChI=1S/C15H26N4O2/c1-3-4-5-14(16)15(20)19-8-6-18(7-9-19)11-13-10-12(2)17-21-13/h10,14H,3-9,11,16H2,1-2H3
InChIKeyOAFHOXAIWIHQED-UHFFFAOYSA-N
XLogP1.14
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N,5-dimethyl-3-isoxazolecarboxamide
CID 2814457
N-cyclohexyl-5-propyl-3-isoxazolecarboxamide
CID 5307570
3-Methyl-N-propylisoxazole-5-carboxamide
CID 9551512
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(3-isopropylisoxazol-5-yl)methyl]acetamide
CID 16189217
3-methyl-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 3245069
(2,6-Dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 4231415
4-Methyl-1-[(3-methylisoxazol-5-yl)carbonyl]piperidine
CID 16193762
N-cyclohexyl-3-methyl-1,2-oxazole-5-carboxamide
CID 16194128
5-Methyl-N-(piperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 43345754
N-cyclopentyl-3-methylisoxazole-5-carboxamide
CID 5308964
Ethyl 4-[(3-methylisoxazol-5-yl)carbonyl]piperazinecarboxylate
CID 5307813
N-(sec-butyl)-3-methylisoxazole-5-carboxamide
CID 9551511

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]hexan-1-one?
The IUPAC name of 2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]hexan-1-one (CID 60940039) is 2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]hexan-1-one.
What is the SMILES notation for 2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]hexan-1-one?
The canonical SMILES for 2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]hexan-1-one is CCCCC(N)C(=O)N1CCN(Cc2cc(C)no2)CC1.
What is the InChIKey of 2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]hexan-1-one?
The InChIKey is OAFHOXAIWIHQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-4-5-14(16)15(20)19-8-6-18(7-9-19)11-13-10-12(2)17-21-13/h10,14H,3-9,11,16H2,1-2H3.
What are the key properties of 2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]hexan-1-one?
2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]hexan-1-one has a molecular weight of 294.40 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]hexan-1-one is sourced from PubChem (CID 60940039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).