N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethylpyridin-2-amine

C19H21N3O — CID 155555871

IUPACN-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethylpyridin-2-amine
SMILESCCN(c1ccccn1)c1cc(-c2c(C)noc2C)ccc1C
InChIInChI=1S/C19H21N3O/c1-5-22(18-8-6-7-11-20-18)17-12-16(10-9-13(17)2)19-14(3)21-23-15(19)4/h6-12H,5H2,1-4H3
InChIKeyOPZRFIFVMBZUTM-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.82
Rot. Bonds4

About N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethylpyridin-2-amine

N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethylpyridin-2-amine (PubChem CID 155555871) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound NameN-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethylpyridin-2-amine
PubChem CID155555871
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethylpyridin-2-amine
SMILESCCN(c1ccccn1)c1cc(-c2c(C)noc2C)ccc1C
InChIInChI=1S/C19H21N3O/c1-5-22(18-8-6-7-11-20-18)17-12-16(10-9-13(17)2)19-14(3)21-23-15(19)4/h6-12H,5H2,1-4H3
InChIKeyOPZRFIFVMBZUTM-UHFFFAOYSA-N
XLogP4.82
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethylpyridin-2-amine?
The IUPAC name of N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethylpyridin-2-amine (CID 155555871) is N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethylpyridin-2-amine?
The canonical SMILES for N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethylpyridin-2-amine is CCN(c1ccccn1)c1cc(-c2c(C)noc2C)ccc1C.
What is the InChIKey of N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethylpyridin-2-amine?
The InChIKey is OPZRFIFVMBZUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-5-22(18-8-6-7-11-20-18)17-12-16(10-9-13(17)2)19-14(3)21-23-15(19)4/h6-12H,5H2,1-4H3.
What are the key properties of N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethylpyridin-2-amine?
N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethylpyridin-2-amine has a molecular weight of 307.40 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 155555871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).