benzyl 3-[(3-cyclopropyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxypropanoate

C18H20N2O5 — CID 126815120

IUPACbenzyl 3-[(3-cyclopropyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxypropanoate
SMILESCc1onc(C2CC2)c1C(=O)NCC(O)C(=O)OCc1ccccc1
InChIInChI=1S/C18H20N2O5/c1-11-15(16(20-25-11)13-7-8-13)17(22)19-9-14(21)18(23)24-10-12-5-3-2-4-6-12/h2-6,13-14,21H,7-10H2,1H3,(H,19,22)
InChIKeyFZYVCNAFADRQQD-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.69
Rot. Bonds7

About benzyl 3-[(3-cyclopropyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxypropanoate

benzyl 3-[(3-cyclopropyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxypropanoate (PubChem CID 126815120) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is benzyl 3-[(3-cyclopropyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxypropanoate.

Molecular Properties

Compound Namebenzyl 3-[(3-cyclopropyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxypropanoate
PubChem CID126815120
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Namebenzyl 3-[(3-cyclopropyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxypropanoate
SMILESCc1onc(C2CC2)c1C(=O)NCC(O)C(=O)OCc1ccccc1
InChIInChI=1S/C18H20N2O5/c1-11-15(16(20-25-11)13-7-8-13)17(22)19-9-14(21)18(23)24-10-12-5-3-2-4-6-12/h2-6,13-14,21H,7-10H2,1H3,(H,19,22)
InChIKeyFZYVCNAFADRQQD-UHFFFAOYSA-N
XLogP1.69
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 3-(bicyclo[3.1.0]hexane-6-carbonylamino)-2-hydroxypropanoate
CID 75440912
benzyl 2-hydroxy-3-[[2-hydroxy-2-(3-methyl-2-pyridinyl)acetyl]amino]propanoate
CID 167980927
benzyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]acetate
CID 26262948
benzyl (2S)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-4-methylpentanoate
CID 56805682
benzyl (2S)-2-cyclopropylpropanoate
CID 59779045
benzyl 3-(4-aminobutanoylamino)-2-hydroxypropanoate
CID 150423836
N-(2-methoxy-2-phenylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 47187692
3-hydroxy-4-oxo-4-phenylmethoxybutanoic acid
CID 14585849
N-(3-carbamoyl-4-cyclohexylthiophen-2-yl)-3-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide
CID 154864633
5-cyclopropyl-N-phenylmethoxy-1,2-oxazole-3-carboxamide
CID 32581167
benzyl 3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171950196
benzyl (2S)-4-amino-2-hydroxy-4-oxobutanoate
CID 10922133

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[(3-cyclopropyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxypropanoate?
The IUPAC name of benzyl 3-[(3-cyclopropyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxypropanoate (CID 126815120) is benzyl 3-[(3-cyclopropyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxypropanoate.
What is the SMILES notation for benzyl 3-[(3-cyclopropyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxypropanoate?
The canonical SMILES for benzyl 3-[(3-cyclopropyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxypropanoate is Cc1onc(C2CC2)c1C(=O)NCC(O)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 3-[(3-cyclopropyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxypropanoate?
The InChIKey is FZYVCNAFADRQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-11-15(16(20-25-11)13-7-8-13)17(22)19-9-14(21)18(23)24-10-12-5-3-2-4-6-12/h2-6,13-14,21H,7-10H2,1H3,(H,19,22).
What are the key properties of benzyl 3-[(3-cyclopropyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxypropanoate?
benzyl 3-[(3-cyclopropyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxypropanoate has a molecular weight of 344.37 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[(3-cyclopropyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxypropanoate is sourced from PubChem (CID 126815120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).