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

C14H18ClN3O2 — CID 119343667

IUPAC3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide;hydrochloride
SMILESCc1coc(-c2cc(NC(=O)CCN)ccc2C)n1.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-9-3-4-11(17-13(18)5-6-15)7-12(9)14-16-10(2)8-19-14;/h3-4,7-8H,5-6,15H2,1-2H3,(H,17,18);1H
InChIKeyMXGXXUIMTTYMAS-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.67
Rot. Bonds4

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

3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide;hydrochloride (PubChem CID 119343667) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide;hydrochloride
PubChem CID119343667
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide;hydrochloride
SMILESCc1coc(-c2cc(NC(=O)CCN)ccc2C)n1.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-9-3-4-11(17-13(18)5-6-15)7-12(9)14-16-10(2)8-19-14;/h3-4,7-8H,5-6,15H2,1-2H3,(H,17,18);1H
InChIKeyMXGXXUIMTTYMAS-UHFFFAOYSA-N
XLogP2.67
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide;hydrochloride
CID 119342913
2-hydroxy-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 110016334
3-cyclohexa-1,5-dien-1-yl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]butanamide;molecular hydrogen
CID 176940384
3-amino-N-(4-methylphenyl)propanamide;hydrochloride
CID 15558174
3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride
CID 75530834
(2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 176940437
N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide
CID 128753344
N-(4-acetamidophenyl)-3-aminopropanamide
CID 22692055
3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119270679
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265
N-(4-acetamido-3-methylphenyl)-3-aminopropanamide
CID 43698824
N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-7-azabicyclo[2.2.1]heptan-7-amine
CID 176940456

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide;hydrochloride (CID 119343667) is 3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide;hydrochloride is Cc1coc(-c2cc(NC(=O)CCN)ccc2C)n1.Cl.
What is the InChIKey of 3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide;hydrochloride?
The InChIKey is MXGXXUIMTTYMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2.ClH/c1-9-3-4-11(17-13(18)5-6-15)7-12(9)14-16-10(2)8-19-14;/h3-4,7-8H,5-6,15H2,1-2H3,(H,17,18);1H.
What are the key properties of 3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide;hydrochloride?
3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119343667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).