2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide

C15H19N3O2 — CID 103795817

IUPAC2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide
SMILESCc1nc(CNC(=O)C(N)Cc2ccccc2)oc1C
InChIInChI=1S/C15H19N3O2/c1-10-11(2)20-14(18-10)9-17-15(19)13(16)8-12-6-4-3-5-7-12/h3-7,13H,8-9,16H2,1-2H3,(H,17,19)
InChIKeyOATYDLCKMPLZEG-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.48
Rot. Bonds5

About 2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide

2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide (PubChem CID 103795817) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide
PubChem CID103795817
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide
SMILESCc1nc(CNC(=O)C(N)Cc2ccccc2)oc1C
InChIInChI=1S/C15H19N3O2/c1-10-11(2)20-14(18-10)9-17-15(19)13(16)8-12-6-4-3-5-7-12/h3-7,13H,8-9,16H2,1-2H3,(H,17,19)
InChIKeyOATYDLCKMPLZEG-UHFFFAOYSA-N
XLogP1.48
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide
CID 106371744
(2S)-2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 106371782
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-phenyl-3-sulfanylidenepropanamide
CID 106372336
2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pent-4-ynamide
CID 106371689
4-[[(2-amino-3-phenylpropanoyl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 5049229
2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119891833
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 47344961
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpropanamide
CID 106371786
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75517881
2-amino-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119877124
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-phenylbutan-2-amine
CID 104787618
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide (CID 103795817) is 2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide is Cc1nc(CNC(=O)C(N)Cc2ccccc2)oc1C.
What is the InChIKey of 2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide?
The InChIKey is OATYDLCKMPLZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-11(2)20-14(18-10)9-17-15(19)13(16)8-12-6-4-3-5-7-12/h3-7,13H,8-9,16H2,1-2H3,(H,17,19).
What are the key properties of 2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide?
2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide has a molecular weight of 273.34 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 103795817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).