2-[[(3aS,6aS)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone

C19H29N3O3 — CID 97421445

IUPAC2-[[(3aS,6aS)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone
SMILESCc1cc(CN2C[C@H]3CCC[C@@]3(COCC(=O)N3CCCC3)C2)no1
InChIInChI=1S/C19H29N3O3/c1-15-9-17(20-25-15)11-21-10-16-5-4-6-19(16,13-21)14-24-12-18(23)22-7-2-3-8-22/h9,16H,2-8,10-14H2,1H3/t16-,19+/m1/s1
InChIKeyZUCPNIWWAPQKMC-APWZRJJASA-N
MW347.46 g/mol
LogP2.22
Rot. Bonds6

About 2-[[(3aS,6aS)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone

2-[[(3aS,6aS)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 97421445) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[[(3aS,6aS)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[(3aS,6aS)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone
PubChem CID97421445
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-[[(3aS,6aS)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone
SMILESCc1cc(CN2C[C@H]3CCC[C@@]3(COCC(=O)N3CCCC3)C2)no1
InChIInChI=1S/C19H29N3O3/c1-15-9-17(20-25-15)11-21-10-16-5-4-6-19(16,13-21)14-24-12-18(23)22-7-2-3-8-22/h9,16H,2-8,10-14H2,1H3/t16-,19+/m1/s1
InChIKeyZUCPNIWWAPQKMC-APWZRJJASA-N
XLogP2.22
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3aS,6aS)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[(3aS,6aS)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone (CID 97421445) is 2-[[(3aS,6aS)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[[(3aS,6aS)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[(3aS,6aS)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone is Cc1cc(CN2C[C@H]3CCC[C@@]3(COCC(=O)N3CCCC3)C2)no1.
What is the InChIKey of 2-[[(3aS,6aS)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is ZUCPNIWWAPQKMC-APWZRJJASA-N. The full InChI is InChI=1S/C19H29N3O3/c1-15-9-17(20-25-15)11-21-10-16-5-4-6-19(16,13-21)14-24-12-18(23)22-7-2-3-8-22/h9,16H,2-8,10-14H2,1H3/t16-,19+/m1/s1.
What are the key properties of 2-[[(3aS,6aS)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone?
2-[[(3aS,6aS)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 347.46 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3aS,6aS)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 97421445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).