2-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]oxolane-2-carboxamide

C13H20N2O3 — CID 119068809

IUPAC2-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]oxolane-2-carboxamide
SMILESCC(C)c1cc(CNC(=O)C2(C)CCCO2)on1
InChIInChI=1S/C13H20N2O3/c1-9(2)11-7-10(18-15-11)8-14-12(16)13(3)5-4-6-17-13/h7,9H,4-6,8H2,1-3H3,(H,14,16)
InChIKeySAVGARIVMMRXCQ-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.98
Rot. Bonds4

About 2-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]oxolane-2-carboxamide

2-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]oxolane-2-carboxamide (PubChem CID 119068809) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]oxolane-2-carboxamide
PubChem CID119068809
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]oxolane-2-carboxamide
SMILESCC(C)c1cc(CNC(=O)C2(C)CCCO2)on1
InChIInChI=1S/C13H20N2O3/c1-9(2)11-7-10(18-15-11)8-14-12(16)13(3)5-4-6-17-13/h7,9H,4-6,8H2,1-3H3,(H,14,16)
InChIKeySAVGARIVMMRXCQ-UHFFFAOYSA-N
XLogP1.98
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]oxolane-2-carboxamide?
The IUPAC name of 2-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]oxolane-2-carboxamide (CID 119068809) is 2-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for 2-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]oxolane-2-carboxamide?
The canonical SMILES for 2-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]oxolane-2-carboxamide is CC(C)c1cc(CNC(=O)C2(C)CCCO2)on1.
What is the InChIKey of 2-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]oxolane-2-carboxamide?
The InChIKey is SAVGARIVMMRXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(2)11-7-10(18-15-11)8-14-12(16)13(3)5-4-6-17-13/h7,9H,4-6,8H2,1-3H3,(H,14,16).
What are the key properties of 2-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]oxolane-2-carboxamide?
2-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]oxolane-2-carboxamide has a molecular weight of 252.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 119068809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).