4-[[cyclopropyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]methyl]benzamide

C18H22N4O3 — CID 46572351

IUPAC4-[[cyclopropyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]methyl]benzamide
SMILESCc1cc(NC(=O)CCN(Cc2ccc(C(N)=O)cc2)C2CC2)no1
InChIInChI=1S/C18H22N4O3/c1-12-10-16(21-25-12)20-17(23)8-9-22(15-6-7-15)11-13-2-4-14(5-3-13)18(19)24/h2-5,10,15H,6-9,11H2,1H3,(H2,19,24)(H,20,21,23)
InChIKeyUSZJRZJFKGGMOZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.08
Rot. Bonds8

About 4-[[cyclopropyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]methyl]benzamide

4-[[cyclopropyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]methyl]benzamide (PubChem CID 46572351) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-[[cyclopropyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[cyclopropyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]methyl]benzamide
PubChem CID46572351
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name4-[[cyclopropyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]methyl]benzamide
SMILESCc1cc(NC(=O)CCN(Cc2ccc(C(N)=O)cc2)C2CC2)no1
InChIInChI=1S/C18H22N4O3/c1-12-10-16(21-25-12)20-17(23)8-9-22(15-6-7-15)11-13-2-4-14(5-3-13)18(19)24/h2-5,10,15H,6-9,11H2,1H3,(H2,19,24)(H,20,21,23)
InChIKeyUSZJRZJFKGGMOZ-UHFFFAOYSA-N
XLogP2.08
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[cyclopropyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]methyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

3-[(4-carbamoylphenyl)methyl-cyclopropylamino]propanoic acid
CID 60840216
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 84569102
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8770322
3-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 60840037
4-[(4-carbamoylphenyl)methyl-cyclopropylamino]butanoic acid
CID 119134489
4-[[cyclopropyl-(3-morpholin-4-yl-3-oxopropyl)amino]methyl]benzamide
CID 46479991
3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109026846
3-[azepan-4-yl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 104979433
3-[[2-[(4-carbamoylphenyl)methyl-cyclopropylamino]acetyl]amino]-N-methylbenzamide
CID 46568152
4-[[cyclopropyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]methyl]benzamide
CID 35266299
4-[[cyclopropyl-[2-(2,5-difluoroanilino)-2-oxoethyl]amino]methyl]benzamide
CID 46568070
3-(4-aminophenyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 54905585

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]methyl]benzamide?
The IUPAC name of 4-[[cyclopropyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]methyl]benzamide (CID 46572351) is 4-[[cyclopropyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]methyl]benzamide.
What is the SMILES notation for 4-[[cyclopropyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]methyl]benzamide?
The canonical SMILES for 4-[[cyclopropyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]methyl]benzamide is Cc1cc(NC(=O)CCN(Cc2ccc(C(N)=O)cc2)C2CC2)no1.
What is the InChIKey of 4-[[cyclopropyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]methyl]benzamide?
The InChIKey is USZJRZJFKGGMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-10-16(21-25-12)20-17(23)8-9-22(15-6-7-15)11-13-2-4-14(5-3-13)18(19)24/h2-5,10,15H,6-9,11H2,1H3,(H2,19,24)(H,20,21,23).
What are the key properties of 4-[[cyclopropyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]methyl]benzamide?
4-[[cyclopropyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]methyl]benzamide has a molecular weight of 342.40 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]methyl]benzamide is sourced from PubChem (CID 46572351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).