4-phenylmethoxy-1,2-benzoxazol-3-amine

C14H12N2O2 — CID 110282084

IUPAC4-phenylmethoxy-1,2-benzoxazol-3-amine
SMILESNc1noc2cccc(OCc3ccccc3)c12
InChIInChI=1S/C14H12N2O2/c15-14-13-11(7-4-8-12(13)18-16-14)17-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,15,16)
InChIKeyQAKSEPTVKXBHOB-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.99
Rot. Bonds3

About 4-phenylmethoxy-1,2-benzoxazol-3-amine

4-phenylmethoxy-1,2-benzoxazol-3-amine (PubChem CID 110282084) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-phenylmethoxy-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name4-phenylmethoxy-1,2-benzoxazol-3-amine
PubChem CID110282084
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name4-phenylmethoxy-1,2-benzoxazol-3-amine
SMILESNc1noc2cccc(OCc3ccccc3)c12
InChIInChI=1S/C14H12N2O2/c15-14-13-11(7-4-8-12(13)18-16-14)17-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,15,16)
InChIKeyQAKSEPTVKXBHOB-UHFFFAOYSA-N
XLogP2.99
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenylmethoxyquinazoline-2,4-diamine
CID 11536300
3-(2-chloroethyl)-4-[(4-fluorophenyl)methoxy]-1,2-benzoxazole
CID 39097386
4-(4-methylphenoxy)-1,2-benzoxazol-3-amine
CID 86079218
3-phenylmethoxybenzene-1,2-diamine;hydrochloride
CID 172882825
4-[2-[(4-phenylmethoxy-1,2-benzoxazol-3-yl)oxy]ethyl]piperidine-1-carboxylic acid
CID 69317478
2-(2-aminophenyl)-3-phenylmethoxyaniline
CID 68789108
1-methyl-2-phenyl-3-phenylmethoxybenzene
CID 170694613
3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine
CID 161236656
4-ethynyl-1,2-benzoxazol-3-amine
CID 167736135
3-(2-phenylmethoxyphenyl)pyridine-2,6-diamine
CID 139370202
2-methyl-5-phenylmethoxypyrimidin-4-amine
CID 91812202
4-phenylmethoxypyridine-2,3,6-triamine;dihydrochloride
CID 131854935

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-1,2-benzoxazol-3-amine?
The IUPAC name of 4-phenylmethoxy-1,2-benzoxazol-3-amine (CID 110282084) is 4-phenylmethoxy-1,2-benzoxazol-3-amine.
What is the SMILES notation for 4-phenylmethoxy-1,2-benzoxazol-3-amine?
The canonical SMILES for 4-phenylmethoxy-1,2-benzoxazol-3-amine is Nc1noc2cccc(OCc3ccccc3)c12.
What is the InChIKey of 4-phenylmethoxy-1,2-benzoxazol-3-amine?
The InChIKey is QAKSEPTVKXBHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c15-14-13-11(7-4-8-12(13)18-16-14)17-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,15,16).
What are the key properties of 4-phenylmethoxy-1,2-benzoxazol-3-amine?
4-phenylmethoxy-1,2-benzoxazol-3-amine has a molecular weight of 240.26 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-1,2-benzoxazol-3-amine is sourced from PubChem (CID 110282084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).