(3aR,6aS)-5-[(5-ethylfuran-2-yl)methyl]-3-(2-pyridin-2-ylethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one

C19H23N3O3 — CID 133135505

IUPAC(3aR,6aS)-5-[(5-ethylfuran-2-yl)methyl]-3-(2-pyridin-2-ylethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one
SMILESCCc1ccc(CN2C[C@@H]3OC(=O)N(CCc4ccccn4)[C@@H]3C2)o1
InChIInChI=1S/C19H23N3O3/c1-2-15-6-7-16(24-15)11-21-12-17-18(13-21)25-19(23)22(17)10-8-14-5-3-4-9-20-14/h3-7,9,17-18H,2,8,10-13H2,1H3/t17-,18+/m1/s1
InChIKeyIFUCSJJOWCFZQT-MSOLQXFVSA-N
MW341.41 g/mol
LogP2.48
Rot. Bonds6

About (3aR,6aS)-5-[(5-ethylfuran-2-yl)methyl]-3-(2-pyridin-2-ylethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one

(3aR,6aS)-5-[(5-ethylfuran-2-yl)methyl]-3-(2-pyridin-2-ylethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one (PubChem CID 133135505) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (3aR,6aS)-5-[(5-ethylfuran-2-yl)methyl]-3-(2-pyridin-2-ylethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one.

Molecular Properties

Compound Name(3aR,6aS)-5-[(5-ethylfuran-2-yl)methyl]-3-(2-pyridin-2-ylethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one
PubChem CID133135505
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(3aR,6aS)-5-[(5-ethylfuran-2-yl)methyl]-3-(2-pyridin-2-ylethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one
SMILESCCc1ccc(CN2C[C@@H]3OC(=O)N(CCc4ccccn4)[C@@H]3C2)o1
InChIInChI=1S/C19H23N3O3/c1-2-15-6-7-16(24-15)11-21-12-17-18(13-21)25-19(23)22(17)10-8-14-5-3-4-9-20-14/h3-7,9,17-18H,2,8,10-13H2,1H3/t17-,18+/m1/s1
InChIKeyIFUCSJJOWCFZQT-MSOLQXFVSA-N
XLogP2.48
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aR,6aS)-5-[(5-ethylfuran-2-yl)methyl]-3-(2-pyridin-2-ylethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one with MolForge

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Related Compounds

(3aR,6aS)-5-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(2-pyridin-2-ylethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one
CID 133135026
(3aS,6aR)-5-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-(pyridin-2-ylmethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one
CID 56753125
2-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyridine
CID 56905779
(3aR,6aS)-5-[(1-ethylimidazol-2-yl)methyl]-3-[2-(4-methoxyphenyl)ethyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one
CID 133124540
2-[(4aR,7aS)-3-oxo-6-(pyridin-2-ylmethyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-4-yl]acetamide
CID 56775372
5-[(4-methylpiperidin-1-yl)methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 42850852
(3aS,6aR)-5-(1,3-benzothiazol-2-yl)-3-(pyridin-2-ylmethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one
CID 25276653
(1S,5R)-3-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 72913412
6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione
CID 64962332
3-cyclopropyl-6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione
CID 64962391
(2R,3aR,6aR)-N-(cyclopropylmethyl)-1-methyl-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
CID 97458034
1-[4-[(3S,4S)-4-methyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]piperazin-1-yl]ethanone
CID 100870915

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-5-[(5-ethylfuran-2-yl)methyl]-3-(2-pyridin-2-ylethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one?
The IUPAC name of (3aR,6aS)-5-[(5-ethylfuran-2-yl)methyl]-3-(2-pyridin-2-ylethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one (CID 133135505) is (3aR,6aS)-5-[(5-ethylfuran-2-yl)methyl]-3-(2-pyridin-2-ylethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one.
What is the SMILES notation for (3aR,6aS)-5-[(5-ethylfuran-2-yl)methyl]-3-(2-pyridin-2-ylethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one?
The canonical SMILES for (3aR,6aS)-5-[(5-ethylfuran-2-yl)methyl]-3-(2-pyridin-2-ylethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one is CCc1ccc(CN2C[C@@H]3OC(=O)N(CCc4ccccn4)[C@@H]3C2)o1.
What is the InChIKey of (3aR,6aS)-5-[(5-ethylfuran-2-yl)methyl]-3-(2-pyridin-2-ylethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one?
The InChIKey is IFUCSJJOWCFZQT-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-2-15-6-7-16(24-15)11-21-12-17-18(13-21)25-19(23)22(17)10-8-14-5-3-4-9-20-14/h3-7,9,17-18H,2,8,10-13H2,1H3/t17-,18+/m1/s1.
What are the key properties of (3aR,6aS)-5-[(5-ethylfuran-2-yl)methyl]-3-(2-pyridin-2-ylethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one?
(3aR,6aS)-5-[(5-ethylfuran-2-yl)methyl]-3-(2-pyridin-2-ylethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one has a molecular weight of 341.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-5-[(5-ethylfuran-2-yl)methyl]-3-(2-pyridin-2-ylethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one is sourced from PubChem (CID 133135505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).