2-methyl-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide

C10H14N2O3 — CID 110702157

IUPAC2-methyl-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide
SMILESCc1ncc(C(=O)NCC2CCCO2)o1
InChIInChI=1S/C10H14N2O3/c1-7-11-6-9(15-7)10(13)12-5-8-3-2-4-14-8/h6,8H,2-5H2,1H3,(H,12,13)
InChIKeyGREDTGCXMNBWLX-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.89
Rot. Bonds3

About 2-methyl-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide

2-methyl-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide (PubChem CID 110702157) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-methyl-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide
PubChem CID110702157
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-methyl-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide
SMILESCc1ncc(C(=O)NCC2CCCO2)o1
InChIInChI=1S/C10H14N2O3/c1-7-11-6-9(15-7)10(13)12-5-8-3-2-4-14-8/h6,8H,2-5H2,1H3,(H,12,13)
InChIKeyGREDTGCXMNBWLX-UHFFFAOYSA-N
XLogP0.89
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-methyl-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide (CID 110702157) is 2-methyl-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide is Cc1ncc(C(=O)NCC2CCCO2)o1.
What is the InChIKey of 2-methyl-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is GREDTGCXMNBWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7-11-6-9(15-7)10(13)12-5-8-3-2-4-14-8/h6,8H,2-5H2,1H3,(H,12,13).
What are the key properties of 2-methyl-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide?
2-methyl-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 210.23 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 110702157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).