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

C16H28N4O2 — CID 126782606

IUPAC2-amino-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
SMILESCc1nc(CN2CCN(C(=O)C(N)C(C)(C)C)CC2)oc1C
InChIInChI=1S/C16H28N4O2/c1-11-12(2)22-13(18-11)10-19-6-8-20(9-7-19)15(21)14(17)16(3,4)5/h14H,6-10,17H2,1-5H3
InChIKeyMKHDBLGZROJFKW-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.31
Rot. Bonds3

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

2-amino-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 126782606) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-amino-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
PubChem CID126782606
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name2-amino-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
SMILESCc1nc(CN2CCN(C(=O)C(N)C(C)(C)C)CC2)oc1C
InChIInChI=1S/C16H28N4O2/c1-11-12(2)22-13(18-11)10-19-6-8-20(9-7-19)15(21)14(17)16(3,4)5/h14H,6-10,17H2,1-5H3
InChIKeyMKHDBLGZROJFKW-UHFFFAOYSA-N
XLogP1.31
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one with MolForge

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Launch Full Analysis

Related Compounds

3-amino-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 119877129
2-amino-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119877124
(2S)-2-amino-3,3-dimethyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]butan-1-one
CID 119835196
(2S)-2-amino-1-[4-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]-3,3-dimethylbutan-1-one
CID 119900031
2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propanoic acid
CID 62310484
[1-(aminomethyl)cyclopentyl]-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone
CID 122148379
(2S)-2-amino-1-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 119896131
2-amino-1-(4-benzylpiperazin-1-yl)-3,3-dimethylbutan-1-one
CID 76892322
1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;dihydrochloride
CID 119877158
3-(3-but-3-ynyldiazirin-3-yl)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 154769464
(5-amino-2-methylphenyl)-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone
CID 120646222
2-[4-[(2R)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]acetic acid
CID 113353402

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 2-amino-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one (CID 126782606) is 2-amino-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 2-amino-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 2-amino-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one is Cc1nc(CN2CCN(C(=O)C(N)C(C)(C)C)CC2)oc1C.
What is the InChIKey of 2-amino-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is MKHDBLGZROJFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-11-12(2)22-13(18-11)10-19-6-8-20(9-7-19)15(21)14(17)16(3,4)5/h14H,6-10,17H2,1-5H3.
What are the key properties of 2-amino-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one?
2-amino-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 308.43 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 126782606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).