N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(2-morpholin-4-ylethyl)aniline

C18H25N3O2 — CID 71983433

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(2-morpholin-4-ylethyl)aniline
SMILESCc1nc(CN(CCN2CCOCC2)c2ccccc2)oc1C
InChIInChI=1S/C18H25N3O2/c1-15-16(2)23-18(19-15)14-21(17-6-4-3-5-7-17)9-8-20-10-12-22-13-11-20/h3-7H,8-14H2,1-2H3
InChIKeyXQZHKKIIOOUNJE-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.63
Rot. Bonds6

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(2-morpholin-4-ylethyl)aniline

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(2-morpholin-4-ylethyl)aniline (PubChem CID 71983433) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(2-morpholin-4-ylethyl)aniline.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(2-morpholin-4-ylethyl)aniline
PubChem CID71983433
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(2-morpholin-4-ylethyl)aniline
SMILESCc1nc(CN(CCN2CCOCC2)c2ccccc2)oc1C
InChIInChI=1S/C18H25N3O2/c1-15-16(2)23-18(19-15)14-21(17-6-4-3-5-7-17)9-8-20-10-12-22-13-11-20/h3-7H,8-14H2,1-2H3
InChIKeyXQZHKKIIOOUNJE-UHFFFAOYSA-N
XLogP2.63
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(2-morpholin-4-ylethyl)aniline 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-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(2-morpholin-4-ylethyl)aniline?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(2-morpholin-4-ylethyl)aniline (CID 71983433) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(2-morpholin-4-ylethyl)aniline.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(2-morpholin-4-ylethyl)aniline?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(2-morpholin-4-ylethyl)aniline is Cc1nc(CN(CCN2CCOCC2)c2ccccc2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(2-morpholin-4-ylethyl)aniline?
The InChIKey is XQZHKKIIOOUNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-15-16(2)23-18(19-15)14-21(17-6-4-3-5-7-17)9-8-20-10-12-22-13-11-20/h3-7H,8-14H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(2-morpholin-4-ylethyl)aniline?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(2-morpholin-4-ylethyl)aniline has a molecular weight of 315.42 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(2-morpholin-4-ylethyl)aniline is sourced from PubChem (CID 71983433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).