N-methyl-4-[[(3-methylphenyl)methylamino]methyl]-3-phenyl-N-propan-2-yl-1,2-oxazol-5-amine

C22H27N3O — CID 46014747

IUPACN-methyl-4-[[(3-methylphenyl)methylamino]methyl]-3-phenyl-N-propan-2-yl-1,2-oxazol-5-amine
SMILESCc1cccc(CNCc2c(-c3ccccc3)noc2N(C)C(C)C)c1
InChIInChI=1S/C22H27N3O/c1-16(2)25(4)22-20(15-23-14-18-10-8-9-17(3)13-18)21(24-26-22)19-11-6-5-7-12-19/h5-13,16,23H,14-15H2,1-4H3
InChIKeyJFKCAVOEZVTULN-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.78
Rot. Bonds7

About N-methyl-4-[[(3-methylphenyl)methylamino]methyl]-3-phenyl-N-propan-2-yl-1,2-oxazol-5-amine

N-methyl-4-[[(3-methylphenyl)methylamino]methyl]-3-phenyl-N-propan-2-yl-1,2-oxazol-5-amine (PubChem CID 46014747) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-methyl-4-[[(3-methylphenyl)methylamino]methyl]-3-phenyl-N-propan-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound NameN-methyl-4-[[(3-methylphenyl)methylamino]methyl]-3-phenyl-N-propan-2-yl-1,2-oxazol-5-amine
PubChem CID46014747
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-methyl-4-[[(3-methylphenyl)methylamino]methyl]-3-phenyl-N-propan-2-yl-1,2-oxazol-5-amine
SMILESCc1cccc(CNCc2c(-c3ccccc3)noc2N(C)C(C)C)c1
InChIInChI=1S/C22H27N3O/c1-16(2)25(4)22-20(15-23-14-18-10-8-9-17(3)13-18)21(24-26-22)19-11-6-5-7-12-19/h5-13,16,23H,14-15H2,1-4H3
InChIKeyJFKCAVOEZVTULN-UHFFFAOYSA-N
XLogP4.78
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[(3-methylphenyl)methylamino]methyl]-3-phenyl-N-propan-2-yl-1,2-oxazol-5-amine?
The IUPAC name of N-methyl-4-[[(3-methylphenyl)methylamino]methyl]-3-phenyl-N-propan-2-yl-1,2-oxazol-5-amine (CID 46014747) is N-methyl-4-[[(3-methylphenyl)methylamino]methyl]-3-phenyl-N-propan-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for N-methyl-4-[[(3-methylphenyl)methylamino]methyl]-3-phenyl-N-propan-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for N-methyl-4-[[(3-methylphenyl)methylamino]methyl]-3-phenyl-N-propan-2-yl-1,2-oxazol-5-amine is Cc1cccc(CNCc2c(-c3ccccc3)noc2N(C)C(C)C)c1.
What is the InChIKey of N-methyl-4-[[(3-methylphenyl)methylamino]methyl]-3-phenyl-N-propan-2-yl-1,2-oxazol-5-amine?
The InChIKey is JFKCAVOEZVTULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-16(2)25(4)22-20(15-23-14-18-10-8-9-17(3)13-18)21(24-26-22)19-11-6-5-7-12-19/h5-13,16,23H,14-15H2,1-4H3.
What are the key properties of N-methyl-4-[[(3-methylphenyl)methylamino]methyl]-3-phenyl-N-propan-2-yl-1,2-oxazol-5-amine?
N-methyl-4-[[(3-methylphenyl)methylamino]methyl]-3-phenyl-N-propan-2-yl-1,2-oxazol-5-amine has a molecular weight of 349.48 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[(3-methylphenyl)methylamino]methyl]-3-phenyl-N-propan-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 46014747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).