4-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide

C24H35N4O3+ — CID 7262304

IUPAC4-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide
SMILESCCCCc1ccc(C(=O)N(CC[NH+]2CCCCC2)CC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C24H34N4O3/c1-3-4-8-20-9-11-21(12-10-20)24(30)28(16-15-27-13-6-5-7-14-27)18-23(29)25-22-17-19(2)31-26-22/h9-12,17H,3-8,13-16,18H2,1-2H3,(H,25,26,29)/p+1
InChIKeyRFCYGVZVYUCFCU-UHFFFAOYSA-O
MW427.57 g/mol
LogP2.48
Rot. Bonds10

About 4-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide

4-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide (PubChem CID 7262304) has the molecular formula C24H35N4O3+ and a molecular weight of 427.57 g/mol. Its IUPAC name is 4-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide
PubChem CID7262304
Molecular FormulaC24H35N4O3+
Molecular Weight427.57 g/mol
Exact Mass427.27
IUPAC Name4-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide
SMILESCCCCc1ccc(C(=O)N(CC[NH+]2CCCCC2)CC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C24H34N4O3/c1-3-4-8-20-9-11-21(12-10-20)24(30)28(16-15-27-13-6-5-7-14-27)18-23(29)25-22-17-19(2)31-26-22/h9-12,17H,3-8,13-16,18H2,1-2H3,(H,25,26,29)/p+1
InChIKeyRFCYGVZVYUCFCU-UHFFFAOYSA-O
XLogP2.48
TPSA79.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-piperidin-1-ium-1-ylethyl)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

4-tert-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide
CID 7415779
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-piperidin-1-ium-1-ylethyl)hexanamide
CID 7297527
4-butyl-N-(cyclohexylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 42770379
3-chloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide
CID 7296183
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-4-pentylbenzamide
CID 4083024
4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide
CID 7440055
N-butyl-4-fluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4307508
4-butoxy-N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 5082068
3-chloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 7404873
4-butyl-N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 3705087
4-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42770301
N-(3-methoxypropyl)-4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 3339655

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide?
The IUPAC name of 4-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide (CID 7262304) is 4-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide.
What is the SMILES notation for 4-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide?
The canonical SMILES for 4-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide is CCCCc1ccc(C(=O)N(CC[NH+]2CCCCC2)CC(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of 4-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide?
The InChIKey is RFCYGVZVYUCFCU-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H34N4O3/c1-3-4-8-20-9-11-21(12-10-20)24(30)28(16-15-27-13-6-5-7-14-27)18-23(29)25-22-17-19(2)31-26-22/h9-12,17H,3-8,13-16,18H2,1-2H3,(H,25,26,29)/p+1.
What are the key properties of 4-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide?
4-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide has a molecular weight of 427.57 g/mol, XLogP of 2.48, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide is sourced from PubChem (CID 7262304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).