N-[(3S,4R)-4-methoxyoxolan-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C11H16N2O4 — CID 131927971

IUPACN-[(3S,4R)-4-methoxyoxolan-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCO[C@H]1COC[C@@H]1NC(=O)c1c(C)noc1C
InChIInChI=1S/C11H16N2O4/c1-6-10(7(2)17-13-6)11(14)12-8-4-16-5-9(8)15-3/h8-9H,4-5H2,1-3H3,(H,12,14)/t8-,9-/m0/s1
InChIKeyHDRYTITWLQYGFP-IUCAKERBSA-N
MW240.26 g/mol
LogP0.44
Rot. Bonds3

About N-[(3S,4R)-4-methoxyoxolan-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[(3S,4R)-4-methoxyoxolan-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 131927971) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-[(3S,4R)-4-methoxyoxolan-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-methoxyoxolan-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID131927971
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC NameN-[(3S,4R)-4-methoxyoxolan-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCO[C@H]1COC[C@@H]1NC(=O)c1c(C)noc1C
InChIInChI=1S/C11H16N2O4/c1-6-10(7(2)17-13-6)11(14)12-8-4-16-5-9(8)15-3/h8-9H,4-5H2,1-3H3,(H,12,14)/t8-,9-/m0/s1
InChIKeyHDRYTITWLQYGFP-IUCAKERBSA-N
XLogP0.44
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-methoxyoxolan-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(3S,4R)-4-methoxyoxolan-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 131927971) is N-[(3S,4R)-4-methoxyoxolan-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-methoxyoxolan-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-methoxyoxolan-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is CO[C@H]1COC[C@@H]1NC(=O)c1c(C)noc1C.
What is the InChIKey of N-[(3S,4R)-4-methoxyoxolan-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is HDRYTITWLQYGFP-IUCAKERBSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-6-10(7(2)17-13-6)11(14)12-8-4-16-5-9(8)15-3/h8-9H,4-5H2,1-3H3,(H,12,14)/t8-,9-/m0/s1.
What are the key properties of N-[(3S,4R)-4-methoxyoxolan-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[(3S,4R)-4-methoxyoxolan-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 240.26 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-methoxyoxolan-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 131927971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).