ethyl 2-(1,2-oxazol-5-ylmethylamino)-2-phenylacetate

C14H16N2O3 — CID 114186508

IUPACethyl 2-(1,2-oxazol-5-ylmethylamino)-2-phenylacetate
SMILESCCOC(=O)C(NCc1ccno1)c1ccccc1
InChIInChI=1S/C14H16N2O3/c1-2-18-14(17)13(11-6-4-3-5-7-11)15-10-12-8-9-16-19-12/h3-9,13,15H,2,10H2,1H3
InChIKeyNTPGKBHVYARGFG-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.07
Rot. Bonds6

About ethyl 2-(1,2-oxazol-5-ylmethylamino)-2-phenylacetate

ethyl 2-(1,2-oxazol-5-ylmethylamino)-2-phenylacetate (PubChem CID 114186508) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl 2-(1,2-oxazol-5-ylmethylamino)-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-(1,2-oxazol-5-ylmethylamino)-2-phenylacetate
PubChem CID114186508
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Nameethyl 2-(1,2-oxazol-5-ylmethylamino)-2-phenylacetate
SMILESCCOC(=O)C(NCc1ccno1)c1ccccc1
InChIInChI=1S/C14H16N2O3/c1-2-18-14(17)13(11-6-4-3-5-7-11)15-10-12-8-9-16-19-12/h3-9,13,15H,2,10H2,1H3
InChIKeyNTPGKBHVYARGFG-UHFFFAOYSA-N
XLogP2.07
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(1,2-oxazol-5-ylmethylamino)butanamide
CID 106417605
ethyl 2-phenyl-2-(3,3,3-trifluoropropylamino)acetate
CID 113245783
2-(1,2-oxazol-5-ylmethylcarbamoylamino)-2-phenylacetic acid
CID 106420891
ethyl 2-[(2-methoxyphenyl)methylamino]-2-phenylacetate
CID 91380200
ethyl 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetate
CID 113357564
ethyl 2-(benzylamino)-2-(3-fluorophenyl)acetate
CID 60991187
ethyl 2-(3-methoxypropylamino)-2-phenylacetate
CID 103600852
ethyl 2-(5-hydroxypentylamino)-2-phenylacetate
CID 107318255
ethyl 2-[(2-hydroxy-2-methylpentyl)amino]-2-phenylacetate
CID 103952035
ethyl (2S)-2-[(2-ethoxy-2-oxoacetyl)amino]-2-phenylacetate
CID 102489983

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,2-oxazol-5-ylmethylamino)-2-phenylacetate?
The IUPAC name of ethyl 2-(1,2-oxazol-5-ylmethylamino)-2-phenylacetate (CID 114186508) is ethyl 2-(1,2-oxazol-5-ylmethylamino)-2-phenylacetate.
What is the SMILES notation for ethyl 2-(1,2-oxazol-5-ylmethylamino)-2-phenylacetate?
The canonical SMILES for ethyl 2-(1,2-oxazol-5-ylmethylamino)-2-phenylacetate is CCOC(=O)C(NCc1ccno1)c1ccccc1.
What is the InChIKey of ethyl 2-(1,2-oxazol-5-ylmethylamino)-2-phenylacetate?
The InChIKey is NTPGKBHVYARGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-18-14(17)13(11-6-4-3-5-7-11)15-10-12-8-9-16-19-12/h3-9,13,15H,2,10H2,1H3.
What are the key properties of ethyl 2-(1,2-oxazol-5-ylmethylamino)-2-phenylacetate?
ethyl 2-(1,2-oxazol-5-ylmethylamino)-2-phenylacetate has a molecular weight of 260.29 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,2-oxazol-5-ylmethylamino)-2-phenylacetate is sourced from PubChem (CID 114186508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).