2-amino-4-[2-(furan-2-yl)-1,3-benzoxazol-5-yl]-2-methylbutan-1-ol

C16H18N2O3 — CID 68764801

IUPAC2-amino-4-[2-(furan-2-yl)-1,3-benzoxazol-5-yl]-2-methylbutan-1-ol
SMILESCC(N)(CO)CCc1ccc2oc(-c3ccco3)nc2c1
InChIInChI=1S/C16H18N2O3/c1-16(17,10-19)7-6-11-4-5-13-12(9-11)18-15(21-13)14-3-2-8-20-14/h2-5,8-9,19H,6-7,10,17H2,1H3
InChIKeyNNUCUEFZULIYJD-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.73
Rot. Bonds5

About 2-amino-4-[2-(furan-2-yl)-1,3-benzoxazol-5-yl]-2-methylbutan-1-ol

2-amino-4-[2-(furan-2-yl)-1,3-benzoxazol-5-yl]-2-methylbutan-1-ol (PubChem CID 68764801) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-amino-4-[2-(furan-2-yl)-1,3-benzoxazol-5-yl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-[2-(furan-2-yl)-1,3-benzoxazol-5-yl]-2-methylbutan-1-ol
PubChem CID68764801
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-amino-4-[2-(furan-2-yl)-1,3-benzoxazol-5-yl]-2-methylbutan-1-ol
SMILESCC(N)(CO)CCc1ccc2oc(-c3ccco3)nc2c1
InChIInChI=1S/C16H18N2O3/c1-16(17,10-19)7-6-11-4-5-13-12(9-11)18-15(21-13)14-3-2-8-20-14/h2-5,8-9,19H,6-7,10,17H2,1H3
InChIKeyNNUCUEFZULIYJD-UHFFFAOYSA-N
XLogP2.73
TPSA85.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-2-methyl-4-(2-phenyl-1,3-benzoxazol-5-yl)butan-1-ol
CID 58709704
[2-(furan-2-yl)-1,3-benzoxazol-6-yl]methanamine
CID 82357432
2-(furan-2-yl)-1,3-benzoxazol-6-amine
CID 43117917
tert-butyl N-[(2R)-4-[2-(furan-2-yl)-1,3-benzoxazol-4-yl]-1-hydroxy-2-methylbutan-2-yl]carbamate
CID 91240404
5-(2,2-dimethylpropyl)-2-phenyl-1,3-benzoxazole
CID 129228304
3-(2-amino-1,3-benzoxazol-5-yl)-2,2-dimethylpropan-1-ol
CID 90787479
[2-(5-bromofuran-2-yl)-1,3-benzoxazol-5-yl]methanol
CID 82357873
[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]methanol
CID 82357845
N,N-diethyl-2-(furan-2-yl)-1,3-benzoxazole-6-carboxamide
CID 171115267
2-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]ethanamine
CID 82304478
2-(3,4-dichlorophenyl)-5-(furan-2-yl)-1,3-benzoxazole
CID 168527045
2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]propan-1-ol
CID 115133411

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(furan-2-yl)-1,3-benzoxazol-5-yl]-2-methylbutan-1-ol?
The IUPAC name of 2-amino-4-[2-(furan-2-yl)-1,3-benzoxazol-5-yl]-2-methylbutan-1-ol (CID 68764801) is 2-amino-4-[2-(furan-2-yl)-1,3-benzoxazol-5-yl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-amino-4-[2-(furan-2-yl)-1,3-benzoxazol-5-yl]-2-methylbutan-1-ol?
The canonical SMILES for 2-amino-4-[2-(furan-2-yl)-1,3-benzoxazol-5-yl]-2-methylbutan-1-ol is CC(N)(CO)CCc1ccc2oc(-c3ccco3)nc2c1.
What is the InChIKey of 2-amino-4-[2-(furan-2-yl)-1,3-benzoxazol-5-yl]-2-methylbutan-1-ol?
The InChIKey is NNUCUEFZULIYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-16(17,10-19)7-6-11-4-5-13-12(9-11)18-15(21-13)14-3-2-8-20-14/h2-5,8-9,19H,6-7,10,17H2,1H3.
What are the key properties of 2-amino-4-[2-(furan-2-yl)-1,3-benzoxazol-5-yl]-2-methylbutan-1-ol?
2-amino-4-[2-(furan-2-yl)-1,3-benzoxazol-5-yl]-2-methylbutan-1-ol has a molecular weight of 286.33 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-(furan-2-yl)-1,3-benzoxazol-5-yl]-2-methylbutan-1-ol is sourced from PubChem (CID 68764801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).