4-(4-methylphenoxy)-1,2-benzoxazol-3-amine

C14H12N2O2 — CID 86079218

IUPAC4-(4-methylphenoxy)-1,2-benzoxazol-3-amine
SMILESCc1ccc(Oc2cccc3onc(N)c23)cc1
InChIInChI=1S/C14H12N2O2/c1-9-5-7-10(8-6-9)17-11-3-2-4-12-13(11)14(15)16-18-12/h2-8H,1H3,(H2,15,16)
InChIKeyMTPHDXHVLWKMBB-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.51
Rot. Bonds2

About 4-(4-methylphenoxy)-1,2-benzoxazol-3-amine

4-(4-methylphenoxy)-1,2-benzoxazol-3-amine (PubChem CID 86079218) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name4-(4-methylphenoxy)-1,2-benzoxazol-3-amine
PubChem CID86079218
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name4-(4-methylphenoxy)-1,2-benzoxazol-3-amine
SMILESCc1ccc(Oc2cccc3onc(N)c23)cc1
InChIInChI=1S/C14H12N2O2/c1-9-5-7-10(8-6-9)17-11-3-2-4-12-13(11)14(15)16-18-12/h2-8H,1H3,(H2,15,16)
InChIKeyMTPHDXHVLWKMBB-UHFFFAOYSA-N
XLogP3.51
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-N-[4-[(3-methyl-1,2-benzoxazol-4-yl)oxy]phenyl]propanamide
CID 67966943
4-phenylmethoxy-1,2-benzoxazol-3-amine
CID 110282084
1,5-bis(4-methylphenoxy)naphthalene;methane
CID 159940982
4-(4-aminophenyl)-1,2-benzoxazol-3-amine
CID 24768394
4-ethynyl-1,2-benzoxazol-3-amine
CID 167736135
3-[2-(4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one
CID 143255222
4-[3-[4-[3-(4-methylphenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 174332614
4-[3-[4-(4-methylphenoxy)phenoxy]phenoxy]aniline
CID 174332616
3,5-dimethyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-4-carboxamide
CID 17435298
2-[2-chloro-6-(4-methylphenoxy)phenyl]ethanamine
CID 63816618
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene
CID 159470463

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-1,2-benzoxazol-3-amine?
The IUPAC name of 4-(4-methylphenoxy)-1,2-benzoxazol-3-amine (CID 86079218) is 4-(4-methylphenoxy)-1,2-benzoxazol-3-amine.
What is the SMILES notation for 4-(4-methylphenoxy)-1,2-benzoxazol-3-amine?
The canonical SMILES for 4-(4-methylphenoxy)-1,2-benzoxazol-3-amine is Cc1ccc(Oc2cccc3onc(N)c23)cc1.
What is the InChIKey of 4-(4-methylphenoxy)-1,2-benzoxazol-3-amine?
The InChIKey is MTPHDXHVLWKMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-9-5-7-10(8-6-9)17-11-3-2-4-12-13(11)14(15)16-18-12/h2-8H,1H3,(H2,15,16).
What are the key properties of 4-(4-methylphenoxy)-1,2-benzoxazol-3-amine?
4-(4-methylphenoxy)-1,2-benzoxazol-3-amine has a molecular weight of 240.26 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-1,2-benzoxazol-3-amine is sourced from PubChem (CID 86079218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).