3-methoxy-4-methyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]benzamide

C18H23N3O3 — CID 154794885

IUPAC3-methoxy-4-methyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]benzamide
SMILESCOc1cc(C(=O)NC[C@@H]2CCCO[C@H]2c2cn[nH]c2)ccc1C
InChIInChI=1S/C18H23N3O3/c1-12-5-6-13(8-16(12)23-2)18(22)19-9-14-4-3-7-24-17(14)15-10-20-21-11-15/h5-6,8,10-11,14,17H,3-4,7,9H2,1-2H3,(H,19,22)(H,20,21)/t14-,17+/m0/s1
InChIKeyWZRVKPUEHMZYKI-WMLDXEAASA-N
MW329.40 g/mol
LogP2.62
Rot. Bonds5

About 3-methoxy-4-methyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]benzamide

3-methoxy-4-methyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]benzamide (PubChem CID 154794885) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-methoxy-4-methyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-4-methyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]benzamide
PubChem CID154794885
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-methoxy-4-methyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]benzamide
SMILESCOc1cc(C(=O)NC[C@@H]2CCCO[C@H]2c2cn[nH]c2)ccc1C
InChIInChI=1S/C18H23N3O3/c1-12-5-6-13(8-16(12)23-2)18(22)19-9-14-4-3-7-24-17(14)15-10-20-21-11-15/h5-6,8,10-11,14,17H,3-4,7,9H2,1-2H3,(H,19,22)(H,20,21)/t14-,17+/m0/s1
InChIKeyWZRVKPUEHMZYKI-WMLDXEAASA-N
XLogP2.62
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-methoxy-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]benzamide
CID 154798360
8-methyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]indolizine-2-carboxamide
CID 138024151
N-[(3,4-dimethylphenyl)methyl]-1-[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methanamine
CID 154761600
N-[(3,4-dimethoxyphenyl)methyl]-1-[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methanamine
CID 154761599
4-chloro-1,5-dimethyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyrazole-3-carboxamide
CID 167760808
1-cyclobutyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyrazole-4-carboxamide
CID 136586699
4,5-dimethyl-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 154762252
2-cyclopentylsulfonyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]acetamide
CID 126826590
N-[(3-ethylpiperidin-2-yl)methyl]-3-methoxy-4-methylbenzamide
CID 82731476
3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509893
4-cyclopropyl-2-methyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrimidine-5-carboxamide
CID 166246892
4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045599

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]benzamide?
The IUPAC name of 3-methoxy-4-methyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]benzamide (CID 154794885) is 3-methoxy-4-methyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]benzamide.
What is the SMILES notation for 3-methoxy-4-methyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]benzamide?
The canonical SMILES for 3-methoxy-4-methyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]benzamide is COc1cc(C(=O)NC[C@@H]2CCCO[C@H]2c2cn[nH]c2)ccc1C.
What is the InChIKey of 3-methoxy-4-methyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]benzamide?
The InChIKey is WZRVKPUEHMZYKI-WMLDXEAASA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-5-6-13(8-16(12)23-2)18(22)19-9-14-4-3-7-24-17(14)15-10-20-21-11-15/h5-6,8,10-11,14,17H,3-4,7,9H2,1-2H3,(H,19,22)(H,20,21)/t14-,17+/m0/s1.
What are the key properties of 3-methoxy-4-methyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]benzamide?
3-methoxy-4-methyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]benzamide has a molecular weight of 329.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]benzamide is sourced from PubChem (CID 154794885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).