N-[(3R)-4,4-dimethyloxolan-3-yl]-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide

C15H24N2O4 — CID 164641962

IUPACN-[(3R)-4,4-dimethyloxolan-3-yl]-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)(C)OCc1cc(C(=O)N[C@H]2COCC2(C)C)no1
InChIInChI=1S/C15H24N2O4/c1-14(2,3)20-7-10-6-11(17-21-10)13(18)16-12-8-19-9-15(12,4)5/h6,12H,7-9H2,1-5H3,(H,16,18)/t12-/m0/s1
InChIKeyYFLWGAKQLZAYSO-LBPRGKRZSA-N
MW296.37 g/mol
LogP2.14
Rot. Bonds4

About N-[(3R)-4,4-dimethyloxolan-3-yl]-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide

N-[(3R)-4,4-dimethyloxolan-3-yl]-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide (PubChem CID 164641962) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(3R)-4,4-dimethyloxolan-3-yl]-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-4,4-dimethyloxolan-3-yl]-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide
PubChem CID164641962
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC NameN-[(3R)-4,4-dimethyloxolan-3-yl]-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)(C)OCc1cc(C(=O)N[C@H]2COCC2(C)C)no1
InChIInChI=1S/C15H24N2O4/c1-14(2,3)20-7-10-6-11(17-21-10)13(18)16-12-8-19-9-15(12,4)5/h6,12H,7-9H2,1-5H3,(H,16,18)/t12-/m0/s1
InChIKeyYFLWGAKQLZAYSO-LBPRGKRZSA-N
XLogP2.14
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-4,4-dimethyloxolan-3-yl]-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3R)-4,4-dimethyloxolan-3-yl]-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide (CID 164641962) is N-[(3R)-4,4-dimethyloxolan-3-yl]-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3R)-4,4-dimethyloxolan-3-yl]-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3R)-4,4-dimethyloxolan-3-yl]-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide is CC(C)(C)OCc1cc(C(=O)N[C@H]2COCC2(C)C)no1.
What is the InChIKey of N-[(3R)-4,4-dimethyloxolan-3-yl]-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is YFLWGAKQLZAYSO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-14(2,3)20-7-10-6-11(17-21-10)13(18)16-12-8-19-9-15(12,4)5/h6,12H,7-9H2,1-5H3,(H,16,18)/t12-/m0/s1.
What are the key properties of N-[(3R)-4,4-dimethyloxolan-3-yl]-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide?
N-[(3R)-4,4-dimethyloxolan-3-yl]-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-4,4-dimethyloxolan-3-yl]-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 164641962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).