4-[anilino-(4-methylphenyl)methyl]-3-methyl-1,2-oxazol-5-amine

C18H19N3O — CID 139234573

IUPAC4-[anilino-(4-methylphenyl)methyl]-3-methyl-1,2-oxazol-5-amine
SMILESCc1ccc(C(Nc2ccccc2)c2c(C)noc2N)cc1
InChIInChI=1S/C18H19N3O/c1-12-8-10-14(11-9-12)17(16-13(2)21-22-18(16)19)20-15-6-4-3-5-7-15/h3-11,17,20H,19H2,1-2H3
InChIKeyOTTSFNZKYDPDSB-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.08
Rot. Bonds4

About 4-[anilino-(4-methylphenyl)methyl]-3-methyl-1,2-oxazol-5-amine

4-[anilino-(4-methylphenyl)methyl]-3-methyl-1,2-oxazol-5-amine (PubChem CID 139234573) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[anilino-(4-methylphenyl)methyl]-3-methyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[anilino-(4-methylphenyl)methyl]-3-methyl-1,2-oxazol-5-amine
PubChem CID139234573
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name4-[anilino-(4-methylphenyl)methyl]-3-methyl-1,2-oxazol-5-amine
SMILESCc1ccc(C(Nc2ccccc2)c2c(C)noc2N)cc1
InChIInChI=1S/C18H19N3O/c1-12-8-10-14(11-9-12)17(16-13(2)21-22-18(16)19)20-15-6-4-3-5-7-15/h3-11,17,20H,19H2,1-2H3
InChIKeyOTTSFNZKYDPDSB-UHFFFAOYSA-N
XLogP4.08
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[anilino-(4-methylphenyl)methyl]-3-methyl-1,2-oxazol-5-amine?
The IUPAC name of 4-[anilino-(4-methylphenyl)methyl]-3-methyl-1,2-oxazol-5-amine (CID 139234573) is 4-[anilino-(4-methylphenyl)methyl]-3-methyl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[anilino-(4-methylphenyl)methyl]-3-methyl-1,2-oxazol-5-amine?
The canonical SMILES for 4-[anilino-(4-methylphenyl)methyl]-3-methyl-1,2-oxazol-5-amine is Cc1ccc(C(Nc2ccccc2)c2c(C)noc2N)cc1.
What is the InChIKey of 4-[anilino-(4-methylphenyl)methyl]-3-methyl-1,2-oxazol-5-amine?
The InChIKey is OTTSFNZKYDPDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-12-8-10-14(11-9-12)17(16-13(2)21-22-18(16)19)20-15-6-4-3-5-7-15/h3-11,17,20H,19H2,1-2H3.
What are the key properties of 4-[anilino-(4-methylphenyl)methyl]-3-methyl-1,2-oxazol-5-amine?
4-[anilino-(4-methylphenyl)methyl]-3-methyl-1,2-oxazol-5-amine has a molecular weight of 293.37 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[anilino-(4-methylphenyl)methyl]-3-methyl-1,2-oxazol-5-amine is sourced from PubChem (CID 139234573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).