3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(methylamino)propyl]propanamide;hydrochloride

C11H19Cl2N3O2 — CID 119429962

IUPAC3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
SMILESCNCCCNC(=O)CCc1c(C)noc1Cl.Cl
InChIInChI=1S/C11H18ClN3O2.ClH/c1-8-9(11(12)17-15-8)4-5-10(16)14-7-3-6-13-2;/h13H,3-7H2,1-2H3,(H,14,16);1H
InChIKeyAJQUCBKYROEEAS-UHFFFAOYSA-N
MW296.20 g/mol
LogP1.72
Rot. Bonds7

About 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(methylamino)propyl]propanamide;hydrochloride

3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(methylamino)propyl]propanamide;hydrochloride (PubChem CID 119429962) has the molecular formula C11H19Cl2N3O2 and a molecular weight of 296.20 g/mol. Its IUPAC name is 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(methylamino)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
PubChem CID119429962
Molecular FormulaC11H19Cl2N3O2
Molecular Weight296.20 g/mol
Exact Mass295.09
IUPAC Name3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
SMILESCNCCCNC(=O)CCc1c(C)noc1Cl.Cl
InChIInChI=1S/C11H18ClN3O2.ClH/c1-8-9(11(12)17-15-8)4-5-10(16)14-7-3-6-13-2;/h13H,3-7H2,1-2H3,(H,14,16);1H
InChIKeyAJQUCBKYROEEAS-UHFFFAOYSA-N
XLogP1.72
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanamide;hydrochloride
CID 119547677
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-piperazin-1-ylpropyl)propanamide
CID 119391073
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)propanamide
CID 109380881
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120891385
N-[3-(methylamino)propyl]-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide;dihydrochloride
CID 119433515
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methylsulfonylpropanamide
CID 131925760
4-(3,4-dichlorophenyl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119432244
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119424729
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 86985319
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropan-1-amine
CID 23006357
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
CID 119438931
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(2R)-1,1-diphenylpropan-2-yl]propanamide
CID 52909110

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(methylamino)propyl]propanamide;hydrochloride?
The IUPAC name of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(methylamino)propyl]propanamide;hydrochloride (CID 119429962) is 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(methylamino)propyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(methylamino)propyl]propanamide;hydrochloride?
The canonical SMILES for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(methylamino)propyl]propanamide;hydrochloride is CNCCCNC(=O)CCc1c(C)noc1Cl.Cl.
What is the InChIKey of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(methylamino)propyl]propanamide;hydrochloride?
The InChIKey is AJQUCBKYROEEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2.ClH/c1-8-9(11(12)17-15-8)4-5-10(16)14-7-3-6-13-2;/h13H,3-7H2,1-2H3,(H,14,16);1H.
What are the key properties of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(methylamino)propyl]propanamide;hydrochloride?
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(methylamino)propyl]propanamide;hydrochloride has a molecular weight of 296.20 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(methylamino)propyl]propanamide;hydrochloride is sourced from PubChem (CID 119429962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).