2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride

C17H24ClN3O2 — CID 75469342

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)C(C)c1c(C)noc1C.Cl
InChIInChI=1S/C17H23N3O2.ClH/c1-5-18-10-14-8-6-7-9-15(14)19-17(21)11(2)16-12(3)20-22-13(16)4;/h6-9,11,18H,5,10H2,1-4H3,(H,19,21);1H
InChIKeyVDZMMVPNBOQYQO-UHFFFAOYSA-N
MW337.85 g/mol
LogP3.56
Rot. Bonds6

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride (PubChem CID 75469342) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
PubChem CID75469342
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)C(C)c1c(C)noc1C.Cl
InChIInChI=1S/C17H23N3O2.ClH/c1-5-18-10-14-8-6-7-9-15(14)19-17(21)11(2)16-12(3)20-22-13(16)4;/h6-9,11,18H,5,10H2,1-4H3,(H,19,21);1H
InChIKeyVDZMMVPNBOQYQO-UHFFFAOYSA-N
XLogP3.56
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide
CID 75469343
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
CID 119438931
2-(3-chlorophenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide
CID 119440626
3-[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]-4-fluorobenzoic acid
CID 97337342
N-[2-(ethylaminomethyl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119439823
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78961689
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 51103750
N-[2-(ethylaminomethyl)phenyl]-2-hydroxy-2-phenylacetamide
CID 43809215
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(methylaminomethyl)phenyl]acetamide
CID 43601046
N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 119439866
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide
CID 43601336
2-[2-[2-(ethylaminomethyl)anilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 119440797

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride (CID 75469342) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride is CCNCc1ccccc1NC(=O)C(C)c1c(C)noc1C.Cl.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride?
The InChIKey is VDZMMVPNBOQYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2.ClH/c1-5-18-10-14-8-6-7-9-15(14)19-17(21)11(2)16-12(3)20-22-13(16)4;/h6-9,11,18H,5,10H2,1-4H3,(H,19,21);1H.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride has a molecular weight of 337.85 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 75469342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).