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

C8H14N2O2 — CID 82412434

IUPAC2-amino-3-methyl-1-(1,3-oxazol-5-yl)butan-1-ol
SMILESCC(C)C(N)C(O)c1cnco1
InChIInChI=1S/C8H14N2O2/c1-5(2)7(9)8(11)6-3-10-4-12-6/h3-5,7-8,11H,9H2,1-2H3
InChIKeyXKVPQCFJCDJOFG-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.69
Rot. Bonds3

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

2-amino-3-methyl-1-(1,3-oxazol-5-yl)butan-1-ol (PubChem CID 82412434) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-amino-3-methyl-1-(1,3-oxazol-5-yl)butan-1-ol.

Molecular Properties

Compound Name2-amino-3-methyl-1-(1,3-oxazol-5-yl)butan-1-ol
PubChem CID82412434
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-amino-3-methyl-1-(1,3-oxazol-5-yl)butan-1-ol
SMILESCC(C)C(N)C(O)c1cnco1
InChIInChI=1S/C8H14N2O2/c1-5(2)7(9)8(11)6-3-10-4-12-6/h3-5,7-8,11H,9H2,1-2H3
InChIKeyXKVPQCFJCDJOFG-UHFFFAOYSA-N
XLogP0.69
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

bis(1,3-oxazol-5-yl)methanol
CID 175811606
(1S,2R)-2-amino-1-(5-amino-3-pyridinyl)-3-methylbutan-1-ol
CID 131014604
(1S,2S)-2-amino-3-methyl-1-(3-methylimidazol-4-yl)butan-1-ol
CID 131093413
(1S,2R)-2-amino-1-(5-chloro-3-pyridinyl)-3-methylbutan-1-ol
CID 131191100
2-amino-1-(3-ethylimidazol-4-yl)-3-methylbutan-1-ol
CID 115347562
(R)-1,3-oxazol-5-yl(phenyl)methanamine
CID 104941371
4-amino-4-(1,3-oxazol-5-yl)butanoic acid
CID 82598143
(2S)-2-methoxy-2-(1,3-oxazol-5-yl)acetic acid
CID 167015592
2-amino-3-methyl-1-pyridin-2-ylbutan-1-ol
CID 82280795
4-[amino(1,3-oxazol-5-yl)methyl]piperidin-4-ol
CID 82398918
2-amino-1-(4-chlorophenyl)-3-methylbutan-1-ol
CID 73115423
N,N-dimethyl-1-(1,3-oxazol-5-yl)propane-1,3-diamine
CID 82412757

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-1-(1,3-oxazol-5-yl)butan-1-ol?
The IUPAC name of 2-amino-3-methyl-1-(1,3-oxazol-5-yl)butan-1-ol (CID 82412434) is 2-amino-3-methyl-1-(1,3-oxazol-5-yl)butan-1-ol.
What is the SMILES notation for 2-amino-3-methyl-1-(1,3-oxazol-5-yl)butan-1-ol?
The canonical SMILES for 2-amino-3-methyl-1-(1,3-oxazol-5-yl)butan-1-ol is CC(C)C(N)C(O)c1cnco1.
What is the InChIKey of 2-amino-3-methyl-1-(1,3-oxazol-5-yl)butan-1-ol?
The InChIKey is XKVPQCFJCDJOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-5(2)7(9)8(11)6-3-10-4-12-6/h3-5,7-8,11H,9H2,1-2H3.
What are the key properties of 2-amino-3-methyl-1-(1,3-oxazol-5-yl)butan-1-ol?
2-amino-3-methyl-1-(1,3-oxazol-5-yl)butan-1-ol has a molecular weight of 170.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-1-(1,3-oxazol-5-yl)butan-1-ol is sourced from PubChem (CID 82412434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).