[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate

C17H14N2O4 — CID 18128877

IUPAC[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate
SMILESCc1cc(NC(=O)COC(=O)c2ccc3ccccc3c2)on1
InChIInChI=1S/C17H14N2O4/c1-11-8-16(23-19-11)18-15(20)10-22-17(21)14-7-6-12-4-2-3-5-13(12)9-14/h2-9H,10H2,1H3,(H,18,20)
InChIKeyONVDJKKBJUXIQH-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.93
Rot. Bonds4

About [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate

[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate (PubChem CID 18128877) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate
PubChem CID18128877
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate
SMILESCc1cc(NC(=O)COC(=O)c2ccc3ccccc3c2)on1
InChIInChI=1S/C17H14N2O4/c1-11-8-16(23-19-11)18-15(20)10-22-17(21)14-7-6-12-4-2-3-5-13(12)9-14/h2-9H,10H2,1H3,(H,18,20)
InChIKeyONVDJKKBJUXIQH-UHFFFAOYSA-N
XLogP2.93
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 16598073
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 18157596
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 16601355
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,6-dichlorobenzoate
CID 18128885
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate
CID 18158022
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 16600981
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-methoxy-3-nitrobenzoate
CID 16961857
[2-(3,4-dimethylanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 7980738
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-methylfuran-2-carboxylate
CID 18158100
[2-(2,4-dimethylanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 7980751
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,3-dichlorobenzoate
CID 18128883
[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl] naphthalene-2-carboxylate
CID 55443767

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate?
The IUPAC name of [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate (CID 18128877) is [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate.
What is the SMILES notation for [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate?
The canonical SMILES for [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate is Cc1cc(NC(=O)COC(=O)c2ccc3ccccc3c2)on1.
What is the InChIKey of [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate?
The InChIKey is ONVDJKKBJUXIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-11-8-16(23-19-11)18-15(20)10-22-17(21)14-7-6-12-4-2-3-5-13(12)9-14/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate?
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate has a molecular weight of 310.31 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate is sourced from PubChem (CID 18128877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).