N-cyclopropyl-N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-4-methylbenzamide

C25H29N3O2 — CID 24719548

IUPACN-cyclopropyl-N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-4-methylbenzamide
SMILESCCN(CC)c1onc(-c2ccccc2)c1CN(C(=O)c1ccc(C)cc1)C1CC1
InChIInChI=1S/C25H29N3O2/c1-4-27(5-2)25-22(23(26-30-25)19-9-7-6-8-10-19)17-28(21-15-16-21)24(29)20-13-11-18(3)12-14-20/h6-14,21H,4-5,15-17H2,1-3H3
InChIKeyWCJNIMIWXIBPTH-UHFFFAOYSA-N
MW403.53 g/mol
LogP5.30
Rot. Bonds8

About N-cyclopropyl-N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-4-methylbenzamide

N-cyclopropyl-N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-4-methylbenzamide (PubChem CID 24719548) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-cyclopropyl-N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-4-methylbenzamide
PubChem CID24719548
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC NameN-cyclopropyl-N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-4-methylbenzamide
SMILESCCN(CC)c1onc(-c2ccccc2)c1CN(C(=O)c1ccc(C)cc1)C1CC1
InChIInChI=1S/C25H29N3O2/c1-4-27(5-2)25-22(23(26-30-25)19-9-7-6-8-10-19)17-28(21-15-16-21)24(29)20-13-11-18(3)12-14-20/h6-14,21H,4-5,15-17H2,1-3H3
InChIKeyWCJNIMIWXIBPTH-UHFFFAOYSA-N
XLogP5.30
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-4-methylbenzamide 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-cyclopropyl-N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-4-methylbenzamide (CID 24719548) is N-cyclopropyl-N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-4-methylbenzamide is CCN(CC)c1onc(-c2ccccc2)c1CN(C(=O)c1ccc(C)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-4-methylbenzamide?
The InChIKey is WCJNIMIWXIBPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-4-27(5-2)25-22(23(26-30-25)19-9-7-6-8-10-19)17-28(21-15-16-21)24(29)20-13-11-18(3)12-14-20/h6-14,21H,4-5,15-17H2,1-3H3.
What are the key properties of N-cyclopropyl-N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-4-methylbenzamide?
N-cyclopropyl-N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-4-methylbenzamide has a molecular weight of 403.53 g/mol, XLogP of 5.30, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-4-methylbenzamide is sourced from PubChem (CID 24719548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).