3-methoxy-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,2-oxazole-5-carboxamide

C13H16N4O4 — CID 129006272

IUPAC3-methoxy-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)on1
InChIInChI=1S/C13H16N4O4/c1-17-7-8(6-14-17)12-9(3-4-20-12)15-13(18)10-5-11(19-2)16-21-10/h5-7,9,12H,3-4H2,1-2H3,(H,15,18)/t9-,12+/m0/s1
InChIKeyNYOIZVYJPOSBKM-JOYOIKCWSA-N
MW292.30 g/mol
LogP0.68
Rot. Bonds4

About 3-methoxy-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,2-oxazole-5-carboxamide

3-methoxy-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 129006272) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 3-methoxy-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID129006272
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name3-methoxy-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)on1
InChIInChI=1S/C13H16N4O4/c1-17-7-8(6-14-17)12-9(3-4-20-12)15-13(18)10-5-11(19-2)16-21-10/h5-7,9,12H,3-4H2,1-2H3,(H,15,18)/t9-,12+/m0/s1
InChIKeyNYOIZVYJPOSBKM-JOYOIKCWSA-N
XLogP0.68
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methoxy-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,2-oxazole-5-carboxamide (CID 129006272) is 3-methoxy-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methoxy-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methoxy-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,2-oxazole-5-carboxamide is COc1cc(C(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)on1.
What is the InChIKey of 3-methoxy-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is NYOIZVYJPOSBKM-JOYOIKCWSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-17-7-8(6-14-17)12-9(3-4-20-12)15-13(18)10-5-11(19-2)16-21-10/h5-7,9,12H,3-4H2,1-2H3,(H,15,18)/t9-,12+/m0/s1.
What are the key properties of 3-methoxy-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,2-oxazole-5-carboxamide?
3-methoxy-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 292.30 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 129006272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).