N-ethyl-5-(methoxymethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide

C13H22N2O3 — CID 71869217

IUPACN-ethyl-5-(methoxymethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCCN(C(=O)c1cc(COC)on1)C(C)C(C)C
InChIInChI=1S/C13H22N2O3/c1-6-15(10(4)9(2)3)13(16)12-7-11(8-17-5)18-14-12/h7,9-10H,6,8H2,1-5H3
InChIKeyJCOSKDAHBPHRQJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.33
Rot. Bonds6

About N-ethyl-5-(methoxymethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide

N-ethyl-5-(methoxymethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 71869217) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-ethyl-5-(methoxymethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(methoxymethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID71869217
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN-ethyl-5-(methoxymethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCCN(C(=O)c1cc(COC)on1)C(C)C(C)C
InChIInChI=1S/C13H22N2O3/c1-6-15(10(4)9(2)3)13(16)12-7-11(8-17-5)18-14-12/h7,9-10H,6,8H2,1-5H3
InChIKeyJCOSKDAHBPHRQJ-UHFFFAOYSA-N
XLogP2.33
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(methoxymethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-ethyl-5-(methoxymethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide (CID 71869217) is N-ethyl-5-(methoxymethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-(methoxymethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-(methoxymethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide is CCN(C(=O)c1cc(COC)on1)C(C)C(C)C.
What is the InChIKey of N-ethyl-5-(methoxymethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is JCOSKDAHBPHRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-6-15(10(4)9(2)3)13(16)12-7-11(8-17-5)18-14-12/h7,9-10H,6,8H2,1-5H3.
What are the key properties of N-ethyl-5-(methoxymethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide?
N-ethyl-5-(methoxymethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(methoxymethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71869217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).