2-[(3-phenyl-1,2-oxazol-5-yl)methoxy]aniline

C16H14N2O2 — CID 61027686

IUPAC2-[(3-phenyl-1,2-oxazol-5-yl)methoxy]aniline
SMILESNc1ccccc1OCc1cc(-c2ccccc2)no1
InChIInChI=1S/C16H14N2O2/c17-14-8-4-5-9-16(14)19-11-13-10-15(18-20-13)12-6-2-1-3-7-12/h1-10H,11,17H2
InChIKeySYPBPIMCALDQHG-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.50
Rot. Bonds4

About 2-[(3-phenyl-1,2-oxazol-5-yl)methoxy]aniline

2-[(3-phenyl-1,2-oxazol-5-yl)methoxy]aniline (PubChem CID 61027686) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(3-phenyl-1,2-oxazol-5-yl)methoxy]aniline.

Molecular Properties

Compound Name2-[(3-phenyl-1,2-oxazol-5-yl)methoxy]aniline
PubChem CID61027686
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-[(3-phenyl-1,2-oxazol-5-yl)methoxy]aniline
SMILESNc1ccccc1OCc1cc(-c2ccccc2)no1
InChIInChI=1S/C16H14N2O2/c17-14-8-4-5-9-16(14)19-11-13-10-15(18-20-13)12-6-2-1-3-7-12/h1-10H,11,17H2
InChIKeySYPBPIMCALDQHG-UHFFFAOYSA-N
XLogP3.50
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-iodophenoxy)methyl]-3-phenyl-1,2-oxazole
CID 60522936
5-(phenoxymethyl)-3-phenyl-1,2-oxazole
CID 1480808
5-[(2-chloro-4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole
CID 134010105
5-[(2-chlorophenoxy)methyl]-3-(4-chlorophenyl)-1,2-oxazole
CID 146097170
5-[(4-chloro-2-methylphenoxy)methyl]-3-phenyl-1,2-oxazole
CID 1484373
[3,5-bis[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]methanol
CID 2748900
2-[[3-(4-phenylphenyl)-1H-pyrazol-5-yl]methoxy]aniline
CID 54852124
(3-phenyl-1,2-oxazol-5-yl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 30036377
3-phenyl-5-[[4-[10,15,20-tris[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin-5-yl]phenoxy]methyl]-1,2-oxazole
CID 45005556
3-(4-fluorophenyl)-5-[(2-phenylquinazolin-4-yl)oxymethyl]-1,2-oxazole
CID 71761123
3,4-dimethyl-7-[(3-phenyl-1,2-oxazol-5-yl)methoxy]chromen-2-one
CID 15066975
3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole
CID 2192631

Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenyl-1,2-oxazol-5-yl)methoxy]aniline?
The IUPAC name of 2-[(3-phenyl-1,2-oxazol-5-yl)methoxy]aniline (CID 61027686) is 2-[(3-phenyl-1,2-oxazol-5-yl)methoxy]aniline.
What is the SMILES notation for 2-[(3-phenyl-1,2-oxazol-5-yl)methoxy]aniline?
The canonical SMILES for 2-[(3-phenyl-1,2-oxazol-5-yl)methoxy]aniline is Nc1ccccc1OCc1cc(-c2ccccc2)no1.
What is the InChIKey of 2-[(3-phenyl-1,2-oxazol-5-yl)methoxy]aniline?
The InChIKey is SYPBPIMCALDQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c17-14-8-4-5-9-16(14)19-11-13-10-15(18-20-13)12-6-2-1-3-7-12/h1-10H,11,17H2.
What are the key properties of 2-[(3-phenyl-1,2-oxazol-5-yl)methoxy]aniline?
2-[(3-phenyl-1,2-oxazol-5-yl)methoxy]aniline has a molecular weight of 266.30 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenyl-1,2-oxazol-5-yl)methoxy]aniline is sourced from PubChem (CID 61027686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).