ethyl 2-methyl-5-[2-(phenylmethoxycarbonylamino)ethyl]-1,3-oxazole-4-carboxylate

C17H20N2O5 — CID 146591456

IUPACethyl 2-methyl-5-[2-(phenylmethoxycarbonylamino)ethyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)oc1CCNC(=O)OCc1ccccc1
InChIInChI=1S/C17H20N2O5/c1-3-22-16(20)15-14(24-12(2)19-15)9-10-18-17(21)23-11-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3,(H,18,21)
InChIKeyGRDGFUFJHUQAJO-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.63
Rot. Bonds7

About ethyl 2-methyl-5-[2-(phenylmethoxycarbonylamino)ethyl]-1,3-oxazole-4-carboxylate

ethyl 2-methyl-5-[2-(phenylmethoxycarbonylamino)ethyl]-1,3-oxazole-4-carboxylate (PubChem CID 146591456) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is ethyl 2-methyl-5-[2-(phenylmethoxycarbonylamino)ethyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-5-[2-(phenylmethoxycarbonylamino)ethyl]-1,3-oxazole-4-carboxylate
PubChem CID146591456
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Nameethyl 2-methyl-5-[2-(phenylmethoxycarbonylamino)ethyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)oc1CCNC(=O)OCc1ccccc1
InChIInChI=1S/C17H20N2O5/c1-3-22-16(20)15-14(24-12(2)19-15)9-10-18-17(21)23-11-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3,(H,18,21)
InChIKeyGRDGFUFJHUQAJO-UHFFFAOYSA-N
XLogP2.63
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-methyl-5-(2-phenylethyl)-1,3-oxazole-4-carboxylate
CID 21494568
benzyl N-[2-(4-ethylphenyl)ethyl]carbamate
CID 90974027
benzyl N-[2-[2-(ethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 139472317
benzyl N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]carbamate
CID 110415278
ethyl 2-methyl-5-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxylate
CID 101389640
(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
CID 59492005
diethyl 2-[2-(phenylmethoxycarbonylamino)ethyl]propanedioate
CID 10903835
benzyl 2-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxylate
CID 139762946
ethyl 3-oxo-5-(phenylmethoxycarbonylamino)pentanoate
CID 15195445
benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 14103856
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
benzyl N-[(2-methyl-1,3-oxazol-4-yl)methyl]carbamate
CID 110714627

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-[2-(phenylmethoxycarbonylamino)ethyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-methyl-5-[2-(phenylmethoxycarbonylamino)ethyl]-1,3-oxazole-4-carboxylate (CID 146591456) is ethyl 2-methyl-5-[2-(phenylmethoxycarbonylamino)ethyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-methyl-5-[2-(phenylmethoxycarbonylamino)ethyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-methyl-5-[2-(phenylmethoxycarbonylamino)ethyl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(C)oc1CCNC(=O)OCc1ccccc1.
What is the InChIKey of ethyl 2-methyl-5-[2-(phenylmethoxycarbonylamino)ethyl]-1,3-oxazole-4-carboxylate?
The InChIKey is GRDGFUFJHUQAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-3-22-16(20)15-14(24-12(2)19-15)9-10-18-17(21)23-11-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3,(H,18,21).
What are the key properties of ethyl 2-methyl-5-[2-(phenylmethoxycarbonylamino)ethyl]-1,3-oxazole-4-carboxylate?
ethyl 2-methyl-5-[2-(phenylmethoxycarbonylamino)ethyl]-1,3-oxazole-4-carboxylate has a molecular weight of 332.36 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5-[2-(phenylmethoxycarbonylamino)ethyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 146591456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).