2-(1,3-benzodioxol-5-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide

C17H19N3O4 — CID 128986317

IUPAC2-(1,3-benzodioxol-5-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide
SMILESCn1nccc1[C@H]1OCC[C@@H]1NC(=O)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C17H19N3O4/c1-20-13(4-6-18-20)17-12(5-7-22-17)19-16(21)9-11-2-3-14-15(8-11)24-10-23-14/h2-4,6,8,12,17H,5,7,9-10H2,1H3,(H,19,21)/t12-,17-/m0/s1
InChIKeyPBXABZMBOQTAGX-SJCJKPOMSA-N
MW329.36 g/mol
LogP1.34
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide

2-(1,3-benzodioxol-5-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide (PubChem CID 128986317) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide
PubChem CID128986317
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide
SMILESCn1nccc1[C@H]1OCC[C@@H]1NC(=O)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C17H19N3O4/c1-20-13(4-6-18-20)17-12(5-7-22-17)19-16(21)9-11-2-3-14-15(8-11)24-10-23-14/h2-4,6,8,12,17H,5,7,9-10H2,1H3,(H,19,21)/t12-,17-/m0/s1
InChIKeyPBXABZMBOQTAGX-SJCJKPOMSA-N
XLogP1.34
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-methoxy-2-pyridinyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide
CID 128970664
2-(4-fluorophenoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide
CID 128969807
3-(1,3-benzoxazol-2-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide
CID 167929245
N-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
CID 119602507
2-(1,3-benzodioxol-5-yl)-N',N'-dimethylacetohydrazide
CID 116847425
4-(cyclopropylmethoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]benzamide
CID 128986254
2-(1,3-benzodioxol-5-yl)-N-(1-propylpiperidin-4-yl)acetamide
CID 86822757
2-(1,3-benzodioxol-5-yl)-N-[3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 156609865
(2S,3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-amine
CID 128976636
N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 17392024
2-(1,3-benzodioxol-5-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide
CID 70722564
(2S)-4-(1,3-benzodioxol-5-yl)-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]butan-2-amine
CID 129476027

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide (CID 128986317) is 2-(1,3-benzodioxol-5-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide is Cn1nccc1[C@H]1OCC[C@@H]1NC(=O)Cc1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide?
The InChIKey is PBXABZMBOQTAGX-SJCJKPOMSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-20-13(4-6-18-20)17-12(5-7-22-17)19-16(21)9-11-2-3-14-15(8-11)24-10-23-14/h2-4,6,8,12,17H,5,7,9-10H2,1H3,(H,19,21)/t12-,17-/m0/s1.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide?
2-(1,3-benzodioxol-5-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide has a molecular weight of 329.36 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide is sourced from PubChem (CID 128986317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).