(2S)-2-amino-1-(1,3-benzoxazol-2-yl)butan-1-ol

C11H14N2O2 — CID 11665617

IUPAC(2S)-2-amino-1-(1,3-benzoxazol-2-yl)butan-1-ol
SMILESCC[C@H](N)C(O)c1nc2ccccc2o1
InChIInChI=1S/C11H14N2O2/c1-2-7(12)10(14)11-13-8-5-3-4-6-9(8)15-11/h3-7,10,14H,2,12H2,1H3/t7-,10?/m0/s1
InChIKeyMZEKOAKWBBNMBO-BYDSUWOYSA-N
MW206.24 g/mol
LogP1.60
Rot. Bonds3

About (2S)-2-amino-1-(1,3-benzoxazol-2-yl)butan-1-ol

(2S)-2-amino-1-(1,3-benzoxazol-2-yl)butan-1-ol (PubChem CID 11665617) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is (2S)-2-amino-1-(1,3-benzoxazol-2-yl)butan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-1-(1,3-benzoxazol-2-yl)butan-1-ol
PubChem CID11665617
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name(2S)-2-amino-1-(1,3-benzoxazol-2-yl)butan-1-ol
SMILESCC[C@H](N)C(O)c1nc2ccccc2o1
InChIInChI=1S/C11H14N2O2/c1-2-7(12)10(14)11-13-8-5-3-4-6-9(8)15-11/h3-7,10,14H,2,12H2,1H3/t7-,10?/m0/s1
InChIKeyMZEKOAKWBBNMBO-BYDSUWOYSA-N
XLogP1.60
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-ol
CID 59918149
3-amino-4-(1,3-benzoxazol-2-yl)-4-hydroxybutanoic acid
CID 66853727
[1-(1,3-benzoxazol-2-yl)-1-hydroxybutan-2-yl]carbamic acid
CID 22054113
(2S)-2-amino-1-(1,3-benzoxazol-2-yl)-2-cyclopropylethanol
CID 58458983
2-heptan-4-yl-1,3-benzoxazole
CID 71228130
2-(1-phenylbutan-2-yl)-1,3-benzoxazole
CID 166439592
tert-butyl N-[(1S,2S)-1-(1,3-benzoxazol-2-yl)-1-hydroxybutan-2-yl]carbamate
CID 129383705
3-amino-N-[1-(1,3-benzoxazol-2-yl)-1-hydroxybutan-2-yl]-3-(1-methylcyclopentyl)propanamide
CID 91380335
(2R)-2-amino-1-(5-tert-butyl-1,3-benzoxazol-2-yl)-4-methylhexan-1-ol
CID 70177904
2-[2-amino-2-(1,3-benzoxazol-2-yl)ethyl]phenol
CID 174575331
3-(1,3-benzoxazol-2-yl)-3-hydroxypropanimidamide
CID 174229965
ethyl 2-(1,3-benzoxazol-2-yl)-2-sulfanylacetate
CID 121221429

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(1,3-benzoxazol-2-yl)butan-1-ol?
The IUPAC name of (2S)-2-amino-1-(1,3-benzoxazol-2-yl)butan-1-ol (CID 11665617) is (2S)-2-amino-1-(1,3-benzoxazol-2-yl)butan-1-ol.
What is the SMILES notation for (2S)-2-amino-1-(1,3-benzoxazol-2-yl)butan-1-ol?
The canonical SMILES for (2S)-2-amino-1-(1,3-benzoxazol-2-yl)butan-1-ol is CC[C@H](N)C(O)c1nc2ccccc2o1.
What is the InChIKey of (2S)-2-amino-1-(1,3-benzoxazol-2-yl)butan-1-ol?
The InChIKey is MZEKOAKWBBNMBO-BYDSUWOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-2-7(12)10(14)11-13-8-5-3-4-6-9(8)15-11/h3-7,10,14H,2,12H2,1H3/t7-,10?/m0/s1.
What are the key properties of (2S)-2-amino-1-(1,3-benzoxazol-2-yl)butan-1-ol?
(2S)-2-amino-1-(1,3-benzoxazol-2-yl)butan-1-ol has a molecular weight of 206.24 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(1,3-benzoxazol-2-yl)butan-1-ol is sourced from PubChem (CID 11665617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).