1-(5-tert-butyl-1,3-oxazol-2-yl)-3-(dimethylamino)propan-2-one

C12H20N2O2 — CID 157081644

IUPAC1-(5-tert-butyl-1,3-oxazol-2-yl)-3-(dimethylamino)propan-2-one
SMILESCN(C)CC(=O)Cc1ncc(C(C)(C)C)o1
InChIInChI=1S/C12H20N2O2/c1-12(2,3)10-7-13-11(16-10)6-9(15)8-14(4)5/h7H,6,8H2,1-5H3
InChIKeyYTYHFPNZEYNECN-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.65
Rot. Bonds4

About 1-(5-tert-butyl-1,3-oxazol-2-yl)-3-(dimethylamino)propan-2-one

1-(5-tert-butyl-1,3-oxazol-2-yl)-3-(dimethylamino)propan-2-one (PubChem CID 157081644) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,3-oxazol-2-yl)-3-(dimethylamino)propan-2-one.

Molecular Properties

Compound Name1-(5-tert-butyl-1,3-oxazol-2-yl)-3-(dimethylamino)propan-2-one
PubChem CID157081644
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(5-tert-butyl-1,3-oxazol-2-yl)-3-(dimethylamino)propan-2-one
SMILESCN(C)CC(=O)Cc1ncc(C(C)(C)C)o1
InChIInChI=1S/C12H20N2O2/c1-12(2,3)10-7-13-11(16-10)6-9(15)8-14(4)5/h7H,6,8H2,1-5H3
InChIKeyYTYHFPNZEYNECN-UHFFFAOYSA-N
XLogP1.65
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]propanoic acid
CID 55097181
2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]acetic acid
CID 43465803
(2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]propanoic acid
CID 104876270
N-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]-N-methylacetamide
CID 71973343
2-(5-tert-butyl-1,3-oxazol-2-yl)ethanamine;hydrochloride
CID 68754663
2-(5-tert-butyl-1,3-oxazol-2-yl)acetonitrile
CID 82414888
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]-3-methoxypropan-2-ol
CID 62015365
5-tert-butyl-1,3-oxazole-2-carboxamide
CID 69412800
1-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4,6-difluorophenyl]ethanone
CID 86783394
2-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]benzoic acid
CID 43352332
4-[(5-tert-butyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673692
3-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]propane-1,2-diol
CID 79682678

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,3-oxazol-2-yl)-3-(dimethylamino)propan-2-one?
The IUPAC name of 1-(5-tert-butyl-1,3-oxazol-2-yl)-3-(dimethylamino)propan-2-one (CID 157081644) is 1-(5-tert-butyl-1,3-oxazol-2-yl)-3-(dimethylamino)propan-2-one.
What is the SMILES notation for 1-(5-tert-butyl-1,3-oxazol-2-yl)-3-(dimethylamino)propan-2-one?
The canonical SMILES for 1-(5-tert-butyl-1,3-oxazol-2-yl)-3-(dimethylamino)propan-2-one is CN(C)CC(=O)Cc1ncc(C(C)(C)C)o1.
What is the InChIKey of 1-(5-tert-butyl-1,3-oxazol-2-yl)-3-(dimethylamino)propan-2-one?
The InChIKey is YTYHFPNZEYNECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-12(2,3)10-7-13-11(16-10)6-9(15)8-14(4)5/h7H,6,8H2,1-5H3.
What are the key properties of 1-(5-tert-butyl-1,3-oxazol-2-yl)-3-(dimethylamino)propan-2-one?
1-(5-tert-butyl-1,3-oxazol-2-yl)-3-(dimethylamino)propan-2-one has a molecular weight of 224.30 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,3-oxazol-2-yl)-3-(dimethylamino)propan-2-one is sourced from PubChem (CID 157081644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).