2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylpropanamide;hydrochloride

C14H18ClN3O2 — CID 120590598

IUPAC2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylpropanamide;hydrochloride
SMILESCc1cc(CNC(=O)C(C)(N)c2ccccc2)on1.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-10-8-12(19-17-10)9-16-13(18)14(2,15)11-6-4-3-5-7-11;/h3-8H,9,15H2,1-2H3,(H,16,18);1H
InChIKeyITAOBGTZFUIBQN-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.90
Rot. Bonds4

About 2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylpropanamide;hydrochloride

2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylpropanamide;hydrochloride (PubChem CID 120590598) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylpropanamide;hydrochloride
PubChem CID120590598
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylpropanamide;hydrochloride
SMILESCc1cc(CNC(=O)C(C)(N)c2ccccc2)on1.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-10-8-12(19-17-10)9-16-13(18)14(2,15)11-6-4-3-5-7-11;/h3-8H,9,15H2,1-2H3,(H,16,18);1H
InChIKeyITAOBGTZFUIBQN-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 120595863
(2S)-2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylacetamide
CID 104897754
2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 120597144
2-amino-N-[(3-methylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride
CID 120588017
2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 120597319
2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenylpropanamide
CID 62487194
2-amino-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 120588942
ethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 62189875
2-(3-methyl-1,2-oxazol-5-yl)acetohydrazide;hydrochloride
CID 66651040
methyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 115598489
1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 53017221
N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide
CID 120591033

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylpropanamide;hydrochloride (CID 120590598) is 2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylpropanamide;hydrochloride is Cc1cc(CNC(=O)C(C)(N)c2ccccc2)on1.Cl.
What is the InChIKey of 2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylpropanamide;hydrochloride?
The InChIKey is ITAOBGTZFUIBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2.ClH/c1-10-8-12(19-17-10)9-16-13(18)14(2,15)11-6-4-3-5-7-11;/h3-8H,9,15H2,1-2H3,(H,16,18);1H.
What are the key properties of 2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylpropanamide;hydrochloride?
2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylpropanamide;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120590598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).