(2S)-2-amino-1-(1,3-benzoxazol-2-yl)-2-cyclopropylethanol

C12H14N2O2 — CID 58458983

IUPAC(2S)-2-amino-1-(1,3-benzoxazol-2-yl)-2-cyclopropylethanol
SMILESN[C@@H](C1CC1)C(O)c1nc2ccccc2o1
InChIInChI=1S/C12H14N2O2/c13-10(7-5-6-7)11(15)12-14-8-3-1-2-4-9(8)16-12/h1-4,7,10-11,15H,5-6,13H2/t10-,11?/m0/s1
InChIKeyICDDNDLZWMFYSF-VUWPPUDQSA-N
MW218.26 g/mol
LogP1.60
Rot. Bonds3

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

(2S)-2-amino-1-(1,3-benzoxazol-2-yl)-2-cyclopropylethanol (PubChem CID 58458983) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is (2S)-2-amino-1-(1,3-benzoxazol-2-yl)-2-cyclopropylethanol.

Molecular Properties

Compound Name(2S)-2-amino-1-(1,3-benzoxazol-2-yl)-2-cyclopropylethanol
PubChem CID58458983
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name(2S)-2-amino-1-(1,3-benzoxazol-2-yl)-2-cyclopropylethanol
SMILESN[C@@H](C1CC1)C(O)c1nc2ccccc2o1
InChIInChI=1S/C12H14N2O2/c13-10(7-5-6-7)11(15)12-14-8-3-1-2-4-9(8)16-12/h1-4,7,10-11,15H,5-6,13H2/t10-,11?/m0/s1
InChIKeyICDDNDLZWMFYSF-VUWPPUDQSA-N
XLogP1.60
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
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)butan-1-ol
CID 11665617
(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
2-(dibromomethyl)-1,3-benzoxazole
CID 91619168
[1-(1,3-benzoxazol-2-yl)-1-hydroxybutan-2-yl]carbamic acid
CID 22054113
3-(1,3-benzoxazol-2-yl)-3-hydroxypropanimidamide
CID 174229965
2-[2-amino-2-(1,3-benzoxazol-2-yl)ethyl]phenol
CID 174575331
[1,3-benzoxazol-2-yl(trimethylsilyl)methyl]-trimethylsilane
CID 58835908
2-aminophenol;1-(1,3-benzoxazol-2-yl)ethanol
CID 167676183
3-amino-N-[1-(1,3-benzoxazol-2-yl)-1-hydroxybutan-2-yl]-3-(1-methylcyclopentyl)propanamide
CID 91380335
2-(1,3-benzoxazol-2-yl)-1-cyclooctylethanol
CID 66460866
N-[(1S,2S)-1-(1,3-benzoxazol-2-yl)-1-hydroxy-4-phenylbutan-2-yl]formamide
CID 173198520

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(1,3-benzoxazol-2-yl)-2-cyclopropylethanol?
The IUPAC name of (2S)-2-amino-1-(1,3-benzoxazol-2-yl)-2-cyclopropylethanol (CID 58458983) is (2S)-2-amino-1-(1,3-benzoxazol-2-yl)-2-cyclopropylethanol.
What is the SMILES notation for (2S)-2-amino-1-(1,3-benzoxazol-2-yl)-2-cyclopropylethanol?
The canonical SMILES for (2S)-2-amino-1-(1,3-benzoxazol-2-yl)-2-cyclopropylethanol is N[C@@H](C1CC1)C(O)c1nc2ccccc2o1.
What is the InChIKey of (2S)-2-amino-1-(1,3-benzoxazol-2-yl)-2-cyclopropylethanol?
The InChIKey is ICDDNDLZWMFYSF-VUWPPUDQSA-N. The full InChI is InChI=1S/C12H14N2O2/c13-10(7-5-6-7)11(15)12-14-8-3-1-2-4-9(8)16-12/h1-4,7,10-11,15H,5-6,13H2/t10-,11?/m0/s1.
What are the key properties of (2S)-2-amino-1-(1,3-benzoxazol-2-yl)-2-cyclopropylethanol?
(2S)-2-amino-1-(1,3-benzoxazol-2-yl)-2-cyclopropylethanol has a molecular weight of 218.26 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)-2-cyclopropylethanol is sourced from PubChem (CID 58458983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).