2-(1,3-benzoxazol-2-ylamino)-1-(2-fluorophenyl)ethanol

C15H13FN2O2 — CID 51086727

IUPAC2-(1,3-benzoxazol-2-ylamino)-1-(2-fluorophenyl)ethanol
SMILESOC(CNc1nc2ccccc2o1)c1ccccc1F
InChIInChI=1S/C15H13FN2O2/c16-11-6-2-1-5-10(11)13(19)9-17-15-18-12-7-3-4-8-14(12)20-15/h1-8,13,19H,9H2,(H,17,18)
InChIKeyJVAGTENSEAGUSP-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.11
Rot. Bonds4

About 2-(1,3-benzoxazol-2-ylamino)-1-(2-fluorophenyl)ethanol

2-(1,3-benzoxazol-2-ylamino)-1-(2-fluorophenyl)ethanol (PubChem CID 51086727) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylamino)-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylamino)-1-(2-fluorophenyl)ethanol
PubChem CID51086727
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name2-(1,3-benzoxazol-2-ylamino)-1-(2-fluorophenyl)ethanol
SMILESOC(CNc1nc2ccccc2o1)c1ccccc1F
InChIInChI=1S/C15H13FN2O2/c16-11-6-2-1-5-10(11)13(19)9-17-15-18-12-7-3-4-8-14(12)20-15/h1-8,13,19H,9H2,(H,17,18)
InChIKeyJVAGTENSEAGUSP-UHFFFAOYSA-N
XLogP3.11
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzoxazol-2-amine
CID 102913887
1-(2-fluorophenyl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanol
CID 133351555
N'-(1,3-benzoxazol-2-yl)-2-methylpropane-1,3-diamine
CID 65035675
(1R)-1-(2-fluorophenyl)-2-(quinazolin-4-ylamino)ethanol
CID 94817432
N'-(1,3-benzoxazol-2-yl)pentane-1,5-diamine
CID 107323559
N-(4-chloro-2-methylbutyl)-1,3-benzoxazol-2-amine
CID 66089941
1-(2-fluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol
CID 62810638
1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol
CID 63118851
N-[2-[(R)-(2-fluorophenyl)sulfinyl]ethyl]-1,3-benzoxazol-2-amine
CID 95325394
N-(4-chlorobutyl)-1,3-benzoxazol-2-amine
CID 106845081
N-(5-methylhexyl)-1,3-benzoxazol-2-amine
CID 79003498
methyl 3-(1,3-benzoxazol-2-ylamino)propanoate
CID 47277708

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylamino)-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-(1,3-benzoxazol-2-ylamino)-1-(2-fluorophenyl)ethanol (CID 51086727) is 2-(1,3-benzoxazol-2-ylamino)-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylamino)-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylamino)-1-(2-fluorophenyl)ethanol is OC(CNc1nc2ccccc2o1)c1ccccc1F.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylamino)-1-(2-fluorophenyl)ethanol?
The InChIKey is JVAGTENSEAGUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c16-11-6-2-1-5-10(11)13(19)9-17-15-18-12-7-3-4-8-14(12)20-15/h1-8,13,19H,9H2,(H,17,18).
What are the key properties of 2-(1,3-benzoxazol-2-ylamino)-1-(2-fluorophenyl)ethanol?
2-(1,3-benzoxazol-2-ylamino)-1-(2-fluorophenyl)ethanol has a molecular weight of 272.28 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylamino)-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 51086727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).