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

C12H16N2O2 — CID 59918149

IUPAC(2S)-2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-ol
SMILESCCC[C@H](N)C(O)c1nc2ccccc2o1
InChIInChI=1S/C12H16N2O2/c1-2-5-8(13)11(15)12-14-9-6-3-4-7-10(9)16-12/h3-4,6-8,11,15H,2,5,13H2,1H3/t8-,11?/m0/s1
InChIKeyDYFLWZLTQLEOIZ-YMNIQAILSA-N
MW220.27 g/mol
LogP1.99
Rot. Bonds4

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

(2S)-2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-ol (PubChem CID 59918149) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (2S)-2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-ol
PubChem CID59918149
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(2S)-2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-ol
SMILESCCC[C@H](N)C(O)c1nc2ccccc2o1
InChIInChI=1S/C12H16N2O2/c1-2-5-8(13)11(15)12-14-9-6-3-4-7-10(9)16-12/h3-4,6-8,11,15H,2,5,13H2,1H3/t8-,11?/m0/s1
InChIKeyDYFLWZLTQLEOIZ-YMNIQAILSA-N
XLogP1.99
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-(1,3-benzoxazol-2-yl)butan-1-ol
CID 11665617
2-heptan-4-yl-1,3-benzoxazole
CID 71228130
3-amino-4-(1,3-benzoxazol-2-yl)-4-hydroxybutanoic acid
CID 66853727
(2S)-2-amino-1-(1,3-benzoxazol-2-yl)-2-cyclopropylethanol
CID 58458983
ethyl 2-(1,3-benzoxazol-2-yl)-2-sulfanylacetate
CID 121221429
2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-one
CID 70077251
[1-(1,3-benzoxazol-2-yl)-1-hydroxybutan-2-yl]carbamic acid
CID 22054113
(Z)-1-(1,3-benzoxazol-2-yl)octadec-9-en-1-ol
CID 68853918
(1S)-2-amino-1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-ol
CID 70130064
2-heptan-4-yl-1,3-benzoxazol-5-amine
CID 79022123
2-[2-amino-2-(1,3-benzoxazol-2-yl)ethyl]phenol
CID 174575331
3-(1,3-benzoxazol-2-yl)-3-hydroxypropanimidamide
CID 174229965

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-ol?
The IUPAC name of (2S)-2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-ol (CID 59918149) is (2S)-2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-ol.
What is the SMILES notation for (2S)-2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-ol?
The canonical SMILES for (2S)-2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-ol is CCC[C@H](N)C(O)c1nc2ccccc2o1.
What is the InChIKey of (2S)-2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-ol?
The InChIKey is DYFLWZLTQLEOIZ-YMNIQAILSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-5-8(13)11(15)12-14-9-6-3-4-7-10(9)16-12/h3-4,6-8,11,15H,2,5,13H2,1H3/t8-,11?/m0/s1.
What are the key properties of (2S)-2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-ol?
(2S)-2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-ol has a molecular weight of 220.27 g/mol, XLogP of 1.99, 4 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)pentan-1-ol is sourced from PubChem (CID 59918149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).