3,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,2-oxazole-4-carboxamide

C12H18N2O3 — CID 2970406

IUPAC3,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC(C)C1CCCO1
InChIInChI=1S/C12H18N2O3/c1-7(10-5-4-6-16-10)13-12(15)11-8(2)14-17-9(11)3/h7,10H,4-6H2,1-3H3,(H,13,15)
InChIKeyJYVXTLDEXZYELT-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.59
Rot. Bonds3

About 3,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 2970406) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,2-oxazole-4-carboxamide
PubChem CID2970406
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC(C)C1CCCO1
InChIInChI=1S/C12H18N2O3/c1-7(10-5-4-6-16-10)13-12(15)11-8(2)14-17-9(11)3/h7,10H,4-6H2,1-3H3,(H,13,15)
InChIKeyJYVXTLDEXZYELT-UHFFFAOYSA-N
XLogP1.59
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,2-oxazole-4-carboxamide (CID 2970406) is 3,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NC(C)C1CCCO1.
What is the InChIKey of 3,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is JYVXTLDEXZYELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-7(10-5-4-6-16-10)13-12(15)11-8(2)14-17-9(11)3/h7,10H,4-6H2,1-3H3,(H,13,15).
What are the key properties of 3,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2970406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).