2-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)butan-1-ol

C9H16N2O2 — CID 82406639

IUPAC2-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)butan-1-ol
SMILESCCC(N)C(O)c1c(C)noc1C
InChIInChI=1S/C9H16N2O2/c1-4-7(10)9(12)8-5(2)11-13-6(8)3/h7,9,12H,4,10H2,1-3H3
InChIKeyBWNGCIXHFJBGOY-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.06
Rot. Bonds3

About 2-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)butan-1-ol

2-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)butan-1-ol (PubChem CID 82406639) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name2-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)butan-1-ol
PubChem CID82406639
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)butan-1-ol
SMILESCCC(N)C(O)c1c(C)noc1C
InChIInChI=1S/C9H16N2O2/c1-4-7(10)9(12)8-5(2)11-13-6(8)3/h7,9,12H,4,10H2,1-3H3
InChIKeyBWNGCIXHFJBGOY-UHFFFAOYSA-N
XLogP1.06
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(methylamino)butane-1,2-diol
CID 171889724
(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine;hydrochloride
CID 127263741
2-(3,5-dimethyl-1,2-oxazol-4-yl)butanoic acid
CID 47003039
2-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropan-1-ol
CID 82406626
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 79238531
tert-butyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroxypropyl]carbamate
CID 170831622
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pentan-3-amine
CID 115896745
methyl 2-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
CID 131448183
1-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-yn-1-ol
CID 86720328
methyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]butanoate
CID 115353489
4-[(1R)-1-isothiocyanatopropyl]-3,5-dimethyl-1,2-oxazole
CID 134535441
2-(3,5-dimethyl-1,2-oxazol-4-yl)propanedioic acid
CID 162373151

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)butan-1-ol?
The IUPAC name of 2-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)butan-1-ol (CID 82406639) is 2-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)butan-1-ol.
What is the SMILES notation for 2-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)butan-1-ol?
The canonical SMILES for 2-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)butan-1-ol is CCC(N)C(O)c1c(C)noc1C.
What is the InChIKey of 2-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)butan-1-ol?
The InChIKey is BWNGCIXHFJBGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-7(10)9(12)8-5(2)11-13-6(8)3/h7,9,12H,4,10H2,1-3H3.
What are the key properties of 2-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)butan-1-ol?
2-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)butan-1-ol has a molecular weight of 184.24 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)butan-1-ol is sourced from PubChem (CID 82406639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).