N-(2-amino-1-cyclohexylethyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide;hydrochloride

C19H25Cl2N3O2 — CID 119591708

IUPACN-(2-amino-1-cyclohexylethyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide;hydrochloride
SMILESCl.NCC(NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C1CCCCC1
InChIInChI=1S/C19H24ClN3O2.ClH/c20-15-8-6-14(7-9-15)19-22-16(12-25-19)10-18(24)23-17(11-21)13-4-2-1-3-5-13;/h6-9,12-13,17H,1-5,10-11,21H2,(H,23,24);1H
InChIKeyPPDLDIGVPRSCHF-UHFFFAOYSA-N
MW398.33 g/mol
LogP3.98
Rot. Bonds6

About N-(2-amino-1-cyclohexylethyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide;hydrochloride (PubChem CID 119591708) has the molecular formula C19H25Cl2N3O2 and a molecular weight of 398.33 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide;hydrochloride
PubChem CID119591708
Molecular FormulaC19H25Cl2N3O2
Molecular Weight398.33 g/mol
Exact Mass397.13
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide;hydrochloride
SMILESCl.NCC(NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C1CCCCC1
InChIInChI=1S/C19H24ClN3O2.ClH/c20-15-8-6-14(7-9-15)19-22-16(12-25-19)10-18(24)23-17(11-21)13-4-2-1-3-5-13;/h6-9,12-13,17H,1-5,10-11,21H2,(H,23,24);1H
InChIKeyPPDLDIGVPRSCHF-UHFFFAOYSA-N
XLogP3.98
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
CID 119613142
N-(2-amino-1-cyclohexylethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119591138
1-[3-(1-aminoethyl)piperidin-1-yl]-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethanone;hydrochloride
CID 119596276
2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546102
2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-methylpentanoic acid
CID 119212020
N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119589829
N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride
CID 119590150
1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethanone
CID 124702286
N-(2-aminoethyl)-1-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]piperidine-3-carboxamide;hydrochloride
CID 119481974
3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 84588911
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide
CID 120556031
N-(4-aminocyclohexyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride
CID 119477271

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide;hydrochloride (CID 119591708) is N-(2-amino-1-cyclohexylethyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide;hydrochloride is Cl.NCC(NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide;hydrochloride?
The InChIKey is PPDLDIGVPRSCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2.ClH/c20-15-8-6-14(7-9-15)19-22-16(12-25-19)10-18(24)23-17(11-21)13-4-2-1-3-5-13;/h6-9,12-13,17H,1-5,10-11,21H2,(H,23,24);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide;hydrochloride has a molecular weight of 398.33 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide;hydrochloride is sourced from PubChem (CID 119591708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).