N-(4-aminocyclohexyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride

C17H22Cl2FN3O2 — CID 119477271

IUPACN-(4-aminocyclohexyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride
SMILESCl.Cl.NC1CCC(NC(=O)Cc2coc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C17H20FN3O2.2ClH/c18-12-3-1-11(2-4-12)17-21-15(10-23-17)9-16(22)20-14-7-5-13(19)6-8-14;;/h1-4,10,13-14H,5-9,19H2,(H,20,22);2*1H
InChIKeyNSEYOTCGMXYJBU-UHFFFAOYSA-N
MW390.29 g/mol
LogP3.25
Rot. Bonds4

About N-(4-aminocyclohexyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride

N-(4-aminocyclohexyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride (PubChem CID 119477271) has the molecular formula C17H22Cl2FN3O2 and a molecular weight of 390.29 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride
PubChem CID119477271
Molecular FormulaC17H22Cl2FN3O2
Molecular Weight390.29 g/mol
Exact Mass389.11
IUPAC NameN-(4-aminocyclohexyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride
SMILESCl.Cl.NC1CCC(NC(=O)Cc2coc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C17H20FN3O2.2ClH/c18-12-3-1-11(2-4-12)17-21-15(10-23-17)9-16(22)20-14-7-5-13(19)6-8-14;;/h1-4,10,13-14H,5-9,19H2,(H,20,22);2*1H
InChIKeyNSEYOTCGMXYJBU-UHFFFAOYSA-N
XLogP3.25
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-aminocyclohexyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride 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

N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide
CID 119603433
1-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone
CID 119411851
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119512816
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride
CID 119557739
N-(3-amino-2-methylpropyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride
CID 119998364
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 111332922
2-[cyclopropyl-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]amino]acetic acid
CID 119195424
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(oxan-2-ylmethylsulfonyl)acetamide
CID 102557126
N-(1-benzylpiperidin-4-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 38548867
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone
CID 120818074
N-(4-aminocyclohexyl)-2-(3-fluorophenyl)acetamide;hydrochloride
CID 119260253
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-hydroxy-4-methylpentyl)acetamide
CID 111460664

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride (CID 119477271) is N-(4-aminocyclohexyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride is Cl.Cl.NC1CCC(NC(=O)Cc2coc(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride?
The InChIKey is NSEYOTCGMXYJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2.2ClH/c18-12-3-1-11(2-4-12)17-21-15(10-23-17)9-16(22)20-14-7-5-13(19)6-8-14;;/h1-4,10,13-14H,5-9,19H2,(H,20,22);2*1H.
What are the key properties of N-(4-aminocyclohexyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride?
N-(4-aminocyclohexyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride has a molecular weight of 390.29 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119477271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).