[2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine

C16H16N2O2 — CID 82357676

IUPAC[2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine
SMILESNCc1ccc2oc(CCOc3ccccc3)nc2c1
InChIInChI=1S/C16H16N2O2/c17-11-12-6-7-15-14(10-12)18-16(20-15)8-9-19-13-4-2-1-3-5-13/h1-7,10H,8-9,11,17H2
InChIKeyRCPBELCZPSCPNA-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.91
Rot. Bonds5

About [2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine

[2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine (PubChem CID 82357676) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is [2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine
PubChem CID82357676
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name[2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine
SMILESNCc1ccc2oc(CCOc3ccccc3)nc2c1
InChIInChI=1S/C16H16N2O2/c17-11-12-6-7-15-14(10-12)18-16(20-15)8-9-19-13-4-2-1-3-5-13/h1-7,10H,8-9,11,17H2
InChIKeyRCPBELCZPSCPNA-UHFFFAOYSA-N
XLogP2.91
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzoxazole, 2-(phenylmethyl)-
CID 16179
Benzoxazole, 2-methyl-5-phenyl-
CID 112786
Benzenamine, 4-(2-benzoxazolyl)-
CID 88733
L 697639
CID 60832
L 696229
CID 72352
Benzoxazole, 2-phenyl-
CID 70030
2-p-Tolylbenzoxazole
CID 70039
2H-1-Benzopyran-2-one, 3-(2-benzoxazolyl)-7-(diethylamino)-
CID 118870
L 696040
CID 131887
2-(2-Benzoxazolyl)phenol
CID 13269
Benzoxazole, 2,2'-(1,2-ethenediyl)bis(5-methyl-
CID 5332173
2,5-Dimethylbenzoxazole
CID 21884

Frequently Asked Questions

What is the IUPAC name of [2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine?
The IUPAC name of [2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine (CID 82357676) is [2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine.
What is the SMILES notation for [2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine?
The canonical SMILES for [2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine is NCc1ccc2oc(CCOc3ccccc3)nc2c1.
What is the InChIKey of [2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine?
The InChIKey is RCPBELCZPSCPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c17-11-12-6-7-15-14(10-12)18-16(20-15)8-9-19-13-4-2-1-3-5-13/h1-7,10H,8-9,11,17H2.
What are the key properties of [2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine?
[2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine has a molecular weight of 268.32 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine is sourced from PubChem (CID 82357676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).