N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methanamine

C24H26N4O — CID 29149788

IUPACN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methanamine
SMILESCCn1ccnc1CN(C)Cc1nc(-c2ccc(-c3ccccc3)cc2)oc1C
InChIInChI=1S/C24H26N4O/c1-4-28-15-14-25-23(28)17-27(3)16-22-18(2)29-24(26-22)21-12-10-20(11-13-21)19-8-6-5-7-9-19/h5-15H,4,16-17H2,1-3H3
InChIKeyBPKQDLKQWFZQRB-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.17
Rot. Bonds7

About N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methanamine

N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methanamine (PubChem CID 29149788) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methanamine
PubChem CID29149788
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methanamine
SMILESCCn1ccnc1CN(C)Cc1nc(-c2ccc(-c3ccccc3)cc2)oc1C
InChIInChI=1S/C24H26N4O/c1-4-28-15-14-25-23(28)17-27(3)16-22-18(2)29-24(26-22)21-12-10-20(11-13-21)19-8-6-5-7-9-19/h5-15H,4,16-17H2,1-3H3
InChIKeyBPKQDLKQWFZQRB-UHFFFAOYSA-N
XLogP5.17
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methanamine (CID 29149788) is N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methanamine is CCn1ccnc1CN(C)Cc1nc(-c2ccc(-c3ccccc3)cc2)oc1C.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is BPKQDLKQWFZQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-4-28-15-14-25-23(28)17-27(3)16-22-18(2)29-24(26-22)21-12-10-20(11-13-21)19-8-6-5-7-9-19/h5-15H,4,16-17H2,1-3H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methanamine?
N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 386.50 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 29149788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).