4-methyl-3-(phenoxymethyl)-1,2-benzoxazol-5-amine

C15H14N2O2 — CID 91184510

IUPAC4-methyl-3-(phenoxymethyl)-1,2-benzoxazol-5-amine
SMILESCc1c(N)ccc2onc(COc3ccccc3)c12
InChIInChI=1S/C15H14N2O2/c1-10-12(16)7-8-14-15(10)13(17-19-14)9-18-11-5-3-2-4-6-11/h2-8H,9,16H2,1H3
InChIKeyNLSWGKZGGGPDPO-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.30
Rot. Bonds3

About 4-methyl-3-(phenoxymethyl)-1,2-benzoxazol-5-amine

4-methyl-3-(phenoxymethyl)-1,2-benzoxazol-5-amine (PubChem CID 91184510) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-methyl-3-(phenoxymethyl)-1,2-benzoxazol-5-amine.

Molecular Properties

Compound Name4-methyl-3-(phenoxymethyl)-1,2-benzoxazol-5-amine
PubChem CID91184510
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name4-methyl-3-(phenoxymethyl)-1,2-benzoxazol-5-amine
SMILESCc1c(N)ccc2onc(COc3ccccc3)c12
InChIInChI=1S/C15H14N2O2/c1-10-12(16)7-8-14-15(10)13(17-19-14)9-18-11-5-3-2-4-6-11/h2-8H,9,16H2,1H3
InChIKeyNLSWGKZGGGPDPO-UHFFFAOYSA-N
XLogP3.30
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.30
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-(phenoxymethyl)-1,2-oxazol-4-amine
CID 117217421
1,3,5-trimethyl-2,4,6-tris(phenoxymethyl)benzene
CID 139065941
2,5-dimethyl-4-(phenoxymethyl)-1,3-thiazole
CID 173249504
3-(phenoxymethyl)-1-benzofuran-4-amine
CID 117170323
5-(phenoxymethyl)-3-phenyl-1,2-oxazole
CID 1480808
2,2-dimethyl-1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61323826
4-phenylmethoxy-1,2-benzoxazol-3-amine
CID 110282084
5-methyl-2-(phenoxymethyl)-1,3-benzoxazol-7-amine
CID 82095441
3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63352262
5-methyl-3-(phenoxymethyl)-1,2-oxazol-2-ium perchlorate
CID 135082180
3-methyl-2-(phenylmethoxymethyl)pyridin-4-amine
CID 130949786
[2-(phenoxymethyl)-3-pyridinyl]methanamine
CID 105467789

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(phenoxymethyl)-1,2-benzoxazol-5-amine?
The IUPAC name of 4-methyl-3-(phenoxymethyl)-1,2-benzoxazol-5-amine (CID 91184510) is 4-methyl-3-(phenoxymethyl)-1,2-benzoxazol-5-amine.
What is the SMILES notation for 4-methyl-3-(phenoxymethyl)-1,2-benzoxazol-5-amine?
The canonical SMILES for 4-methyl-3-(phenoxymethyl)-1,2-benzoxazol-5-amine is Cc1c(N)ccc2onc(COc3ccccc3)c12.
What is the InChIKey of 4-methyl-3-(phenoxymethyl)-1,2-benzoxazol-5-amine?
The InChIKey is NLSWGKZGGGPDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-10-12(16)7-8-14-15(10)13(17-19-14)9-18-11-5-3-2-4-6-11/h2-8H,9,16H2,1H3.
What are the key properties of 4-methyl-3-(phenoxymethyl)-1,2-benzoxazol-5-amine?
4-methyl-3-(phenoxymethyl)-1,2-benzoxazol-5-amine has a molecular weight of 254.29 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(phenoxymethyl)-1,2-benzoxazol-5-amine is sourced from PubChem (CID 91184510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).