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

C15H26N4O2 — CID 119835196

IUPAC(2S)-2-amino-3,3-dimethyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]butan-1-one
SMILESCc1cc(CN2CCN(C(=O)[C@@H](N)C(C)(C)C)CC2)no1
InChIInChI=1S/C15H26N4O2/c1-11-9-12(17-21-11)10-18-5-7-19(8-6-18)14(20)13(16)15(2,3)4/h9,13H,5-8,10,16H2,1-4H3/t13-/m1/s1
InChIKeyAYGSQXOZPKJENV-CYBMUJFWSA-N
MW294.40 g/mol
LogP1.00
Rot. Bonds3

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

(2S)-2-amino-3,3-dimethyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]butan-1-one (PubChem CID 119835196) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]butan-1-one
PubChem CID119835196
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name(2S)-2-amino-3,3-dimethyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]butan-1-one
SMILESCc1cc(CN2CCN(C(=O)[C@@H](N)C(C)(C)C)CC2)no1
InChIInChI=1S/C15H26N4O2/c1-11-9-12(17-21-11)10-18-5-7-19(8-6-18)14(20)13(16)15(2,3)4/h9,13H,5-8,10,16H2,1-4H3/t13-/m1/s1
InChIKeyAYGSQXOZPKJENV-CYBMUJFWSA-N
XLogP1.00
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

3-amino-2-methyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 119835184
3-amino-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119835222
(1-aminocyclopropyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 119835162
tert-butyl N-[4-methyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1-oxopentan-2-yl]carbamate
CID 87010955
2-amino-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 126782606
N-[1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 86908237
2-amino-1-(4-benzylpiperazin-1-yl)-3,3-dimethylbutan-1-one
CID 76892322
1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]pentan-1-one
CID 110422916
(1-hydroxycyclopentyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 110907005
(5-methylfuran-2-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 56810132
[(1R,2S)-2-aminocyclopentyl]-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 124697211
2,2-dimethyl-N-[2-[[N-methyl-C-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]carbonimidoyl]amino]ethyl]propanamide
CID 111378618

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]butan-1-one?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]butan-1-one (CID 119835196) is (2S)-2-amino-3,3-dimethyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]butan-1-one is Cc1cc(CN2CCN(C(=O)[C@@H](N)C(C)(C)C)CC2)no1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]butan-1-one?
The InChIKey is AYGSQXOZPKJENV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-11-9-12(17-21-11)10-18-5-7-19(8-6-18)14(20)13(16)15(2,3)4/h9,13H,5-8,10,16H2,1-4H3/t13-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]butan-1-one?
(2S)-2-amino-3,3-dimethyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]butan-1-one has a molecular weight of 294.40 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 119835196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).