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

C17H25N5O3 — CID 128973215

IUPAC3-methoxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)on1
InChIInChI=1S/C17H25N5O3/c1-20-7-5-6-12(16(20)13-9-18-22(3)11-13)10-21(2)17(23)14-8-15(24-4)19-25-14/h8-9,11-12,16H,5-7,10H2,1-4H3/t12-,16+/m0/s1
InChIKeyTUJOMPRDGGWLDB-BLLLJJGKSA-N
MW347.42 g/mol
LogP1.57
Rot. Bonds5

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

3-methoxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 128973215) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID128973215
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name3-methoxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)on1
InChIInChI=1S/C17H25N5O3/c1-20-7-5-6-12(16(20)13-9-18-22(3)11-13)10-21(2)17(23)14-8-15(24-4)19-25-14/h8-9,11-12,16H,5-7,10H2,1-4H3/t12-,16+/m0/s1
InChIKeyTUJOMPRDGGWLDB-BLLLJJGKSA-N
XLogP1.57
TPSA76.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methoxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxamide (CID 128973215) is 3-methoxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methoxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methoxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxamide is COc1cc(C(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)on1.
What is the InChIKey of 3-methoxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is TUJOMPRDGGWLDB-BLLLJJGKSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-20-7-5-6-12(16(20)13-9-18-22(3)11-13)10-21(2)17(23)14-8-15(24-4)19-25-14/h8-9,11-12,16H,5-7,10H2,1-4H3/t12-,16+/m0/s1.
What are the key properties of 3-methoxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxamide?
3-methoxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 128973215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).