N-(1-amino-4-methylpentan-2-yl)-2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propanamide

C19H26ClN3O2S — CID 119586588

IUPACN-(1-amino-4-methylpentan-2-yl)-2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propanamide
SMILESCC(C)CC(CN)NC(=O)C(C)SCc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C19H26ClN3O2S/c1-12(2)8-16(9-21)23-19(24)13(3)26-11-18-22-10-17(25-18)14-4-6-15(20)7-5-14/h4-7,10,12-13,16H,8-9,11,21H2,1-3H3,(H,23,24)
InChIKeyMNFDMZGUJGPTMJ-UHFFFAOYSA-N
MW395.96 g/mol
LogP4.11
Rot. Bonds9

About N-(1-amino-4-methylpentan-2-yl)-2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propanamide

N-(1-amino-4-methylpentan-2-yl)-2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propanamide (PubChem CID 119586588) has the molecular formula C19H26ClN3O2S and a molecular weight of 395.96 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propanamide
PubChem CID119586588
Molecular FormulaC19H26ClN3O2S
Molecular Weight395.96 g/mol
Exact Mass395.14
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propanamide
SMILESCC(C)CC(CN)NC(=O)C(C)SCc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C19H26ClN3O2S/c1-12(2)8-16(9-21)23-19(24)13(3)26-11-18-22-10-17(25-18)14-4-6-15(20)7-5-14/h4-7,10,12-13,16H,8-9,11,21H2,1-3H3,(H,23,24)
InChIKeyMNFDMZGUJGPTMJ-UHFFFAOYSA-N
XLogP4.11
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.96
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-amino-4-methylpentan-2-yl)-2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propanamide with MolForge

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Related Compounds

7-[5-[4-(4-chlorophenyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxyheptanamide
CID 9952732
(S)-2-(1-((S)-1-carboxy-2-(5-(4-chlorophenyl)oxazol-2-yl)ethylcarbamoyl)cyclopentylamino)-4-methoxybutanoic acid
CID 54587647
2-{[2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-YL]methanesulfinyl}-N-[(pyridin-2-YL)methyl]acetamide
CID 20860462
2(1H)-Pyridinone, 5-ethyl-6-methyl-3-(((5-phenyl-2-oxazolyl)methyl)amino)-
CID 454392
4-(aminomethyl)-N-[(1S)-2-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 66674212
2-Oxazolemethanamine, 5-(4-chlorophenyl)-, monohydrochloride
CID 3049264
2-Oxazolemethanamine, 5-(2-chlorophenyl)-N-ethyl-
CID 3049280
2-Oxazolemethanamine, 5-(4-chlorophenyl)-N-ethyl-, monohydrochloride
CID 3049301
N-[2-(2-chlorophenyl)ethyl]-5-phenyl-1,3-oxazole-2-carboxamide
CID 155530539
2-Oxazolemethanamine, N-methyl-5-phenyl-, monohydrochloride
CID 3049266
2-Oxazolemethanamine, N-ethyl-5-phenyl-, monohydrochloride
CID 3049268
2-Oxazolemethanamine, 5-(4-chlorophenyl)-N-methyl-, dihydrochloride
CID 3049270

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propanamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propanamide (CID 119586588) is N-(1-amino-4-methylpentan-2-yl)-2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propanamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propanamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propanamide is CC(C)CC(CN)NC(=O)C(C)SCc1ncc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propanamide?
The InChIKey is MNFDMZGUJGPTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2S/c1-12(2)8-16(9-21)23-19(24)13(3)26-11-18-22-10-17(25-18)14-4-6-15(20)7-5-14/h4-7,10,12-13,16H,8-9,11,21H2,1-3H3,(H,23,24).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propanamide?
N-(1-amino-4-methylpentan-2-yl)-2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propanamide has a molecular weight of 395.96 g/mol, XLogP of 4.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propanamide is sourced from PubChem (CID 119586588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).