methyl 2-[(3-phenyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]acetate

C16H18N2O4 — CID 78885231

IUPACmethyl 2-[(3-phenyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1cc(-c2ccccc2)no1)C(C)C
InChIInChI=1S/C16H18N2O4/c1-11(2)18(10-15(19)21-3)16(20)14-9-13(17-22-14)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3
InChIKeyDLUHMWIHNQJKOB-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.37
Rot. Bonds5

About methyl 2-[(3-phenyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]acetate

methyl 2-[(3-phenyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]acetate (PubChem CID 78885231) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is methyl 2-[(3-phenyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-phenyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]acetate
PubChem CID78885231
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Namemethyl 2-[(3-phenyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1cc(-c2ccccc2)no1)C(C)C
InChIInChI=1S/C16H18N2O4/c1-11(2)18(10-15(19)21-3)16(20)14-9-13(17-22-14)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3
InChIKeyDLUHMWIHNQJKOB-UHFFFAOYSA-N
XLogP2.37
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-phenyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(3-phenyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]acetate (CID 78885231) is methyl 2-[(3-phenyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(3-phenyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(3-phenyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]acetate is COC(=O)CN(C(=O)c1cc(-c2ccccc2)no1)C(C)C.
What is the InChIKey of methyl 2-[(3-phenyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]acetate?
The InChIKey is DLUHMWIHNQJKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-11(2)18(10-15(19)21-3)16(20)14-9-13(17-22-14)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3.
What are the key properties of methyl 2-[(3-phenyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]acetate?
methyl 2-[(3-phenyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]acetate has a molecular weight of 302.33 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-phenyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 78885231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).