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

C9H16N2O2 — CID 22053946

IUPAC2-amino-3,3-dimethyl-1-(1,3-oxazol-2-yl)butan-1-ol
SMILESCC(C)(C)C(N)C(O)c1ncco1
InChIInChI=1S/C9H16N2O2/c1-9(2,3)7(10)6(12)8-11-4-5-13-8/h4-7,12H,10H2,1-3H3
InChIKeyQWLIBBMQQGASQU-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.08
Rot. Bonds2

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

2-amino-3,3-dimethyl-1-(1,3-oxazol-2-yl)butan-1-ol (PubChem CID 22053946) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-amino-3,3-dimethyl-1-(1,3-oxazol-2-yl)butan-1-ol.

Molecular Properties

Compound Name2-amino-3,3-dimethyl-1-(1,3-oxazol-2-yl)butan-1-ol
PubChem CID22053946
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-amino-3,3-dimethyl-1-(1,3-oxazol-2-yl)butan-1-ol
SMILESCC(C)(C)C(N)C(O)c1ncco1
InChIInChI=1S/C9H16N2O2/c1-9(2,3)7(10)6(12)8-11-4-5-13-8/h4-7,12H,10H2,1-3H3
InChIKeyQWLIBBMQQGASQU-UHFFFAOYSA-N
XLogP1.08
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethyl-1-(1,3-oxazol-2-yl)butan-1-ol?
The IUPAC name of 2-amino-3,3-dimethyl-1-(1,3-oxazol-2-yl)butan-1-ol (CID 22053946) is 2-amino-3,3-dimethyl-1-(1,3-oxazol-2-yl)butan-1-ol.
What is the SMILES notation for 2-amino-3,3-dimethyl-1-(1,3-oxazol-2-yl)butan-1-ol?
The canonical SMILES for 2-amino-3,3-dimethyl-1-(1,3-oxazol-2-yl)butan-1-ol is CC(C)(C)C(N)C(O)c1ncco1.
What is the InChIKey of 2-amino-3,3-dimethyl-1-(1,3-oxazol-2-yl)butan-1-ol?
The InChIKey is QWLIBBMQQGASQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-9(2,3)7(10)6(12)8-11-4-5-13-8/h4-7,12H,10H2,1-3H3.
What are the key properties of 2-amino-3,3-dimethyl-1-(1,3-oxazol-2-yl)butan-1-ol?
2-amino-3,3-dimethyl-1-(1,3-oxazol-2-yl)butan-1-ol has a molecular weight of 184.24 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dimethyl-1-(1,3-oxazol-2-yl)butan-1-ol is sourced from PubChem (CID 22053946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).