N-[(3,4-dichlorophenyl)methyl]-3-methyl-1-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)butan-1-amine

C25H29Cl2N3O2 — CID 56669278

IUPACN-[(3,4-dichlorophenyl)methyl]-3-methyl-1-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)butan-1-amine
SMILESCC(C)CC(NCc1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2)c(N2CCOCC2)o1
InChIInChI=1S/C25H29Cl2N3O2/c1-17(2)14-22(28-16-18-8-9-20(26)21(27)15-18)24-29-23(19-6-4-3-5-7-19)25(32-24)30-10-12-31-13-11-30/h3-9,15,17,22,28H,10-14,16H2,1-2H3
InChIKeyGPOQGKBTMJRKSQ-UHFFFAOYSA-N
MW474.43 g/mol
LogP6.36
Rot. Bonds8

About N-[(3,4-dichlorophenyl)methyl]-3-methyl-1-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)butan-1-amine

N-[(3,4-dichlorophenyl)methyl]-3-methyl-1-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)butan-1-amine (PubChem CID 56669278) has the molecular formula C25H29Cl2N3O2 and a molecular weight of 474.43 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-3-methyl-1-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-3-methyl-1-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)butan-1-amine
PubChem CID56669278
Molecular FormulaC25H29Cl2N3O2
Molecular Weight474.43 g/mol
Exact Mass473.16
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-3-methyl-1-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)butan-1-amine
SMILESCC(C)CC(NCc1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2)c(N2CCOCC2)o1
InChIInChI=1S/C25H29Cl2N3O2/c1-17(2)14-22(28-16-18-8-9-20(26)21(27)15-18)24-29-23(19-6-4-3-5-7-19)25(32-24)30-10-12-31-13-11-30/h3-9,15,17,22,28H,10-14,16H2,1-2H3
InChIKeyGPOQGKBTMJRKSQ-UHFFFAOYSA-N
XLogP6.36
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.43
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3,4-dichlorophenyl)methyl]-3-methyl-1-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)butan-1-amine 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-[(3,4-dichlorophenyl)methyl]-3-methyl-1-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)butan-1-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-methyl-1-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)butan-1-amine (CID 56669278) is N-[(3,4-dichlorophenyl)methyl]-3-methyl-1-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)butan-1-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-3-methyl-1-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)butan-1-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-3-methyl-1-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)butan-1-amine is CC(C)CC(NCc1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2)c(N2CCOCC2)o1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-3-methyl-1-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)butan-1-amine?
The InChIKey is GPOQGKBTMJRKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29Cl2N3O2/c1-17(2)14-22(28-16-18-8-9-20(26)21(27)15-18)24-29-23(19-6-4-3-5-7-19)25(32-24)30-10-12-31-13-11-30/h3-9,15,17,22,28H,10-14,16H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-3-methyl-1-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)butan-1-amine?
N-[(3,4-dichlorophenyl)methyl]-3-methyl-1-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)butan-1-amine has a molecular weight of 474.43 g/mol, XLogP of 6.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-3-methyl-1-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)butan-1-amine is sourced from PubChem (CID 56669278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).