3-[[(3aS,6aS)-3a-(oxan-4-ylmethoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole

C19H30N2O3 — CID 97421427

IUPAC3-[[(3aS,6aS)-3a-(oxan-4-ylmethoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2C[C@H]3CCC[C@@]3(COCC3CCOCC3)C2)no1
InChIInChI=1S/C19H30N2O3/c1-15-9-18(20-24-15)11-21-10-17-3-2-6-19(17,13-21)14-23-12-16-4-7-22-8-5-16/h9,16-17H,2-8,10-14H2,1H3/t17-,19+/m1/s1
InChIKeyCSVLROUKBUZMSO-MJGOQNOKSA-N
MW334.46 g/mol
LogP3.03
Rot. Bonds6

About 3-[[(3aS,6aS)-3a-(oxan-4-ylmethoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole

3-[[(3aS,6aS)-3a-(oxan-4-ylmethoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 97421427) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-[[(3aS,6aS)-3a-(oxan-4-ylmethoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[(3aS,6aS)-3a-(oxan-4-ylmethoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID97421427
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name3-[[(3aS,6aS)-3a-(oxan-4-ylmethoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2C[C@H]3CCC[C@@]3(COCC3CCOCC3)C2)no1
InChIInChI=1S/C19H30N2O3/c1-15-9-18(20-24-15)11-21-10-17-3-2-6-19(17,13-21)14-23-12-16-4-7-22-8-5-16/h9,16-17H,2-8,10-14H2,1H3/t17-,19+/m1/s1
InChIKeyCSVLROUKBUZMSO-MJGOQNOKSA-N
XLogP3.03
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[(3aS,6aS)-3a-(oxan-4-ylmethoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole with MolForge

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Related Compounds

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CID 134787573
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CID 124756233
CID 124756233
CID 127023989
CID 127023989
CID 132314297
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CID 155853803
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CID 131643610
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CID 58235129
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CID 64864017

Frequently Asked Questions

What is the IUPAC name of 3-[[(3aS,6aS)-3a-(oxan-4-ylmethoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[(3aS,6aS)-3a-(oxan-4-ylmethoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole (CID 97421427) is 3-[[(3aS,6aS)-3a-(oxan-4-ylmethoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[(3aS,6aS)-3a-(oxan-4-ylmethoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[(3aS,6aS)-3a-(oxan-4-ylmethoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole is Cc1cc(CN2C[C@H]3CCC[C@@]3(COCC3CCOCC3)C2)no1.
What is the InChIKey of 3-[[(3aS,6aS)-3a-(oxan-4-ylmethoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is CSVLROUKBUZMSO-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-15-9-18(20-24-15)11-21-10-17-3-2-6-19(17,13-21)14-23-12-16-4-7-22-8-5-16/h9,16-17H,2-8,10-14H2,1H3/t17-,19+/m1/s1.
What are the key properties of 3-[[(3aS,6aS)-3a-(oxan-4-ylmethoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole?
3-[[(3aS,6aS)-3a-(oxan-4-ylmethoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 334.46 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3aS,6aS)-3a-(oxan-4-ylmethoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 97421427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).