N-[(2S)-1-aminopropan-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride

C15H21Cl2N3O2 — CID 120505530

IUPACN-[(2S)-1-aminopropan-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
SMILESC[C@@H](CN)NC(=O)CCc1ncc(-c2ccccc2)o1.Cl.Cl
InChIInChI=1S/C15H19N3O2.2ClH/c1-11(9-16)18-14(19)7-8-15-17-10-13(20-15)12-5-3-2-4-6-12;;/h2-6,10-11H,7-9,16H2,1H3,(H,18,19);2*1H/t11-;;/m0../s1
InChIKeyOAVSZXDIKFYUKH-IDMXKUIJSA-N
MW346.26 g/mol
LogP2.58
Rot. Bonds6

About N-[(2S)-1-aminopropan-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride

N-[(2S)-1-aminopropan-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride (PubChem CID 120505530) has the molecular formula C15H21Cl2N3O2 and a molecular weight of 346.26 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
PubChem CID120505530
Molecular FormulaC15H21Cl2N3O2
Molecular Weight346.26 g/mol
Exact Mass345.10
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
SMILESC[C@@H](CN)NC(=O)CCc1ncc(-c2ccccc2)o1.Cl.Cl
InChIInChI=1S/C15H19N3O2.2ClH/c1-11(9-16)18-14(19)7-8-15-17-10-13(20-15)12-5-3-2-4-6-12;;/h2-6,10-11H,7-9,16H2,1H3,(H,18,19);2*1H/t11-;;/m0../s1
InChIKeyOAVSZXDIKFYUKH-IDMXKUIJSA-N
XLogP2.58
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(2-hydroxyphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51934580
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 41433405
N-[1-(2-chlorophenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51310753
N-(1-hydroxypropan-2-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 78856641
N-[(4-methylphenyl)-phenylmethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16599378
N-(1-phenylethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784776
N-(2-amino-1-cyclopropylethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride
CID 119613032
N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 41475071
2-methyl-N-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]phenyl]propanamide
CID 41355513
3-(5-phenyl-1,3-oxazol-2-yl)-N-propylpropanamide
CID 18135781
3-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-butan-2-ylpropanamide
CID 133150041

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride (CID 120505530) is N-[(2S)-1-aminopropan-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride is C[C@@H](CN)NC(=O)CCc1ncc(-c2ccccc2)o1.Cl.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride?
The InChIKey is OAVSZXDIKFYUKH-IDMXKUIJSA-N. The full InChI is InChI=1S/C15H19N3O2.2ClH/c1-11(9-16)18-14(19)7-8-15-17-10-13(20-15)12-5-3-2-4-6-12;;/h2-6,10-11H,7-9,16H2,1H3,(H,18,19);2*1H/t11-;;/m0../s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride?
N-[(2S)-1-aminopropan-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride has a molecular weight of 346.26 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride is sourced from PubChem (CID 120505530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).