N-(4-aminocyclohexyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride

C18H23Cl2F2N3O2 — CID 119476385

IUPACN-(4-aminocyclohexyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
SMILESCl.Cl.NC1CCC(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)CC1
InChIInChI=1S/C18H21F2N3O2.2ClH/c19-11-1-6-14(15(20)9-11)16-10-22-18(25-16)8-7-17(24)23-13-4-2-12(21)3-5-13;;/h1,6,9-10,12-13H,2-5,7-8,21H2,(H,23,24);2*1H
InChIKeyNXBBOZZQCIYPOT-UHFFFAOYSA-N
MW422.30 g/mol
LogP3.78
Rot. Bonds5

About N-(4-aminocyclohexyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride

N-(4-aminocyclohexyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride (PubChem CID 119476385) has the molecular formula C18H23Cl2F2N3O2 and a molecular weight of 422.30 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
PubChem CID119476385
Molecular FormulaC18H23Cl2F2N3O2
Molecular Weight422.30 g/mol
Exact Mass421.11
IUPAC NameN-(4-aminocyclohexyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
SMILESCl.Cl.NC1CCC(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)CC1
InChIInChI=1S/C18H21F2N3O2.2ClH/c19-11-1-6-14(15(20)9-11)16-10-22-18(25-16)8-7-17(24)23-13-4-2-12(21)3-5-13;;/h1,6,9-10,12-13H,2-5,7-8,21H2,(H,23,24);2*1H
InChIKeyNXBBOZZQCIYPOT-UHFFFAOYSA-N
XLogP3.78
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.30
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-pyrrolidin-3-ylpropanamide
CID 119451500
N-cyclopropyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18136486
N-(2-aminoethyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 119383503
2-cyclopropyl-2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetic acid
CID 119213751
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 25475952
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(methylamino)ethyl]propanamide;dihydrochloride
CID 119501785
N-(3,5-dichlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590665
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;dihydrochloride
CID 119540119
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 18162891
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 16590473
N-(1-cyclopropylpiperidin-4-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 86921699
N-[2-(1-adamantyl)ethyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18267949

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride (CID 119476385) is N-(4-aminocyclohexyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride is Cl.Cl.NC1CCC(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride?
The InChIKey is NXBBOZZQCIYPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O2.2ClH/c19-11-1-6-14(15(20)9-11)16-10-22-18(25-16)8-7-17(24)23-13-4-2-12(21)3-5-13;;/h1,6,9-10,12-13H,2-5,7-8,21H2,(H,23,24);2*1H.
What are the key properties of N-(4-aminocyclohexyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride?
N-(4-aminocyclohexyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride has a molecular weight of 422.30 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride is sourced from PubChem (CID 119476385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).