5-phenyl-1,3-benzoxazol-7-amine

C13H10N2O — CID 82230574

IUPAC5-phenyl-1,3-benzoxazol-7-amine
SMILESNc1cc(-c2ccccc2)cc2ncoc12
InChIInChI=1S/C13H10N2O/c14-11-6-10(9-4-2-1-3-5-9)7-12-13(11)16-8-15-12/h1-8H,14H2
InChIKeyPIABANTUZCOEPB-UHFFFAOYSA-N
MW210.24 g/mol
LogP3.08
Rot. Bonds1

About 5-phenyl-1,3-benzoxazol-7-amine

5-phenyl-1,3-benzoxazol-7-amine (PubChem CID 82230574) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-phenyl-1,3-benzoxazol-7-amine.

Molecular Properties

Compound Name5-phenyl-1,3-benzoxazol-7-amine
PubChem CID82230574
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name5-phenyl-1,3-benzoxazol-7-amine
SMILESNc1cc(-c2ccccc2)cc2ncoc12
InChIInChI=1S/C13H10N2O/c14-11-6-10(9-4-2-1-3-5-9)7-12-13(11)16-8-15-12/h1-8H,14H2
InChIKeyPIABANTUZCOEPB-UHFFFAOYSA-N
XLogP3.08
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-phenyl-1,3-benzoxazole
CID 19026755
2-(aminomethyl)-5-phenylbenzene-1,3-diamine
CID 66970488
6-phenyl-[1,3]oxazolo[4,5-b]pyridine
CID 117000868
[1,3]oxazolo[5,4-a]acridine
CID 176655511
4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216
1,3,5-triphenylbenzene
CID 158331433
4-phenylbenzene-1,2-diamine;dihydrochloride
CID 53439687
3-methyl-5-phenylbenzene-1,2-diamine
CID 67211058
4-methoxy-6-phenyl-2,1-benzoxazol-3-amine
CID 146278292
3-methyl-5-phenyl-2,3-dihydro-1-benzofuran-7-amine
CID 149116016
1,3,5-triphenylbenzene;trihydrochloride
CID 172862781
potassium;1,1'-biphenyl;carbanide
CID 144916134

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1,3-benzoxazol-7-amine?
The IUPAC name of 5-phenyl-1,3-benzoxazol-7-amine (CID 82230574) is 5-phenyl-1,3-benzoxazol-7-amine.
What is the SMILES notation for 5-phenyl-1,3-benzoxazol-7-amine?
The canonical SMILES for 5-phenyl-1,3-benzoxazol-7-amine is Nc1cc(-c2ccccc2)cc2ncoc12.
What is the InChIKey of 5-phenyl-1,3-benzoxazol-7-amine?
The InChIKey is PIABANTUZCOEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c14-11-6-10(9-4-2-1-3-5-9)7-12-13(11)16-8-15-12/h1-8H,14H2.
What are the key properties of 5-phenyl-1,3-benzoxazol-7-amine?
5-phenyl-1,3-benzoxazol-7-amine has a molecular weight of 210.24 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1,3-benzoxazol-7-amine is sourced from PubChem (CID 82230574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).