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

C16H21Cl2N3O2 — CID 119438931

IUPAC3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)CCc1c(C)noc1Cl.Cl
InChIInChI=1S/C16H20ClN3O2.ClH/c1-3-18-10-12-6-4-5-7-14(12)19-15(21)9-8-13-11(2)20-22-16(13)17;/h4-7,18H,3,8-10H2,1-2H3,(H,19,21);1H
InChIKeyCSBCWCXMEZLJQR-UHFFFAOYSA-N
MW358.27 g/mol
LogP3.74
Rot. Bonds7

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

3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride (PubChem CID 119438931) has the molecular formula C16H21Cl2N3O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
PubChem CID119438931
Molecular FormulaC16H21Cl2N3O2
Molecular Weight358.27 g/mol
Exact Mass357.10
IUPAC Name3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)CCc1c(C)noc1Cl.Cl
InChIInChI=1S/C16H20ClN3O2.ClH/c1-3-18-10-12-6-4-5-7-14(12)19-15(21)9-8-13-11(2)20-22-16(13)17;/h4-7,18H,3,8-10H2,1-2H3,(H,19,21);1H
InChIKeyCSBCWCXMEZLJQR-UHFFFAOYSA-N
XLogP3.74
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]phenyl]acetic acid
CID 119218412
N-[2-(ethylaminomethyl)phenyl]pentanamide;hydrochloride
CID 119438958
3-(2,4-dimethylphenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
CID 119439013
N-[2-(ethylaminomethyl)phenyl]-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide;dihydrochloride
CID 119440528
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
CID 75469342
N-[2-(ethylaminomethyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
CID 119439388
N-[2-(ethylaminomethyl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119438806
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(methylaminomethyl)phenyl]acetamide
CID 43601046
N-[2-(ethylaminomethyl)phenyl]nonanamide
CID 65425982
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110650465
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide
CID 75469343
N-[2-(ethylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 119439339

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride?
The IUPAC name of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride (CID 119438931) is 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride is CCNCc1ccccc1NC(=O)CCc1c(C)noc1Cl.Cl.
What is the InChIKey of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride?
The InChIKey is CSBCWCXMEZLJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2.ClH/c1-3-18-10-12-6-4-5-7-14(12)19-15(21)9-8-13-11(2)20-22-16(13)17;/h4-7,18H,3,8-10H2,1-2H3,(H,19,21);1H.
What are the key properties of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride?
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride has a molecular weight of 358.27 g/mol, XLogP of 3.74, 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-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119438931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).