benzyl 2-amino-3-(5-phenyl-1,3-oxazol-2-yl)propanoate

C19H18N2O3 — CID 72648141

IUPACbenzyl 2-amino-3-(5-phenyl-1,3-oxazol-2-yl)propanoate
SMILESNC(Cc1ncc(-c2ccccc2)o1)C(=O)OCc1ccccc1
InChIInChI=1S/C19H18N2O3/c20-16(19(22)23-13-14-7-3-1-4-8-14)11-18-21-12-17(24-18)15-9-5-2-6-10-15/h1-10,12,16H,11,13,20H2
InChIKeyOVCWCBOXAYASLJ-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.95
Rot. Bonds6

About benzyl 2-amino-3-(5-phenyl-1,3-oxazol-2-yl)propanoate

benzyl 2-amino-3-(5-phenyl-1,3-oxazol-2-yl)propanoate (PubChem CID 72648141) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is benzyl 2-amino-3-(5-phenyl-1,3-oxazol-2-yl)propanoate.

Molecular Properties

Compound Namebenzyl 2-amino-3-(5-phenyl-1,3-oxazol-2-yl)propanoate
PubChem CID72648141
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Namebenzyl 2-amino-3-(5-phenyl-1,3-oxazol-2-yl)propanoate
SMILESNC(Cc1ncc(-c2ccccc2)o1)C(=O)OCc1ccccc1
InChIInChI=1S/C19H18N2O3/c20-16(19(22)23-13-14-7-3-1-4-8-14)11-18-21-12-17(24-18)15-9-5-2-6-10-15/h1-10,12,16H,11,13,20H2
InChIKeyOVCWCBOXAYASLJ-UHFFFAOYSA-N
XLogP2.95
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578893
(5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-phenylbutanoate
CID 9467187
2-amino-3-phenyl-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119882152
(5-phenyl-1,3-oxazol-2-yl)methyl (2R)-2-(furan-2-carbonylamino)propanoate
CID 51900243
azane;benzyl 2-amino-3-(5-phenylmethoxy-2-pyridinyl)propanoate
CID 174391409
benzyl 2-amino-3-chloropropanoate;hydrochloride
CID 175069294
(5-phenyl-1,3-oxazol-2-yl)methyl 2-hydroxy-2,2-diphenylacetate
CID 16500406
benzyl 2,3-diaminopropanoate
CID 19891176
4-methoxy-2-[(5-phenyl-1,3-oxazol-2-yl)methoxy]benzamide
CID 47004427
(5-phenyl-1,3-oxazol-2-yl)methyl (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 9454592
benzyl (2R)-2-amino-3-iodopropanoate
CID 11623654
[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 3-phenylmethoxypropanoate
CID 60541333

Frequently Asked Questions

What is the IUPAC name of benzyl 2-amino-3-(5-phenyl-1,3-oxazol-2-yl)propanoate?
The IUPAC name of benzyl 2-amino-3-(5-phenyl-1,3-oxazol-2-yl)propanoate (CID 72648141) is benzyl 2-amino-3-(5-phenyl-1,3-oxazol-2-yl)propanoate.
What is the SMILES notation for benzyl 2-amino-3-(5-phenyl-1,3-oxazol-2-yl)propanoate?
The canonical SMILES for benzyl 2-amino-3-(5-phenyl-1,3-oxazol-2-yl)propanoate is NC(Cc1ncc(-c2ccccc2)o1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-amino-3-(5-phenyl-1,3-oxazol-2-yl)propanoate?
The InChIKey is OVCWCBOXAYASLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c20-16(19(22)23-13-14-7-3-1-4-8-14)11-18-21-12-17(24-18)15-9-5-2-6-10-15/h1-10,12,16H,11,13,20H2.
What are the key properties of benzyl 2-amino-3-(5-phenyl-1,3-oxazol-2-yl)propanoate?
benzyl 2-amino-3-(5-phenyl-1,3-oxazol-2-yl)propanoate has a molecular weight of 322.36 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-amino-3-(5-phenyl-1,3-oxazol-2-yl)propanoate is sourced from PubChem (CID 72648141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).