[(3aS,9bS)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol

C19H24N2O4 — CID 72905415

IUPAC[(3aS,9bS)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol
SMILESCOc1ccc2c(c1)OC[C@]1(CO)CN(Cc3c(C)noc3C)C[C@H]21
InChIInChI=1S/C19H24N2O4/c1-12-16(13(2)25-20-12)7-21-8-17-15-5-4-14(23-3)6-18(15)24-11-19(17,9-21)10-22/h4-6,17,22H,7-11H2,1-3H3/t17-,19-/m1/s1
InChIKeyRYIQDLGDJZAXDA-IEBWSBKVSA-N
MW344.41 g/mol
LogP2.27
Rot. Bonds4

About [(3aS,9bS)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol

[(3aS,9bS)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol (PubChem CID 72905415) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is [(3aS,9bS)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol.

Molecular Properties

Compound Name[(3aS,9bS)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol
PubChem CID72905415
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name[(3aS,9bS)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol
SMILESCOc1ccc2c(c1)OC[C@]1(CO)CN(Cc3c(C)noc3C)C[C@H]21
InChIInChI=1S/C19H24N2O4/c1-12-16(13(2)25-20-12)7-21-8-17-15-5-4-14(23-3)6-18(15)24-11-19(17,9-21)10-22/h4-6,17,22H,7-11H2,1-3H3/t17-,19-/m1/s1
InChIKeyRYIQDLGDJZAXDA-IEBWSBKVSA-N
XLogP2.27
TPSA67.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3aS,9bS)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol with MolForge

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Related Compounds

[(3aS,9bS)-2-(1H-imidazol-5-ylmethyl)-7-methoxy-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol
CID 72878196
[7-methoxy-2-(2-phenoxyethyl)-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol
CID 156606822
[(3aS,9bS)-2-[(4-chloro-3-fluorophenyl)methyl]-7-methoxy-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol
CID 72932199
7-methoxy-2-[(4-methoxyphenyl)methyl]-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrole-3a-carboxylic acid
CID 156604888
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-fluorophenyl)sulfonyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol
CID 138378496
(3S,4R)-4-(2,3-dimethoxyphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 70737596
(3aR,9bR)-2-[[2-(ethylamino)pyrimidin-5-yl]methyl]-7-methoxy-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrole-3a-carboxylic acid
CID 72927583
5-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1H-pyrazin-2-one
CID 138382440
3-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 97269318
N-[(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 72874463
4-[[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 110423247
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-methoxy-2-methylphenyl)-1,4-diazepane-1-carboxamide
CID 3341231

Frequently Asked Questions

What is the IUPAC name of [(3aS,9bS)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol?
The IUPAC name of [(3aS,9bS)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol (CID 72905415) is [(3aS,9bS)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol.
What is the SMILES notation for [(3aS,9bS)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol?
The canonical SMILES for [(3aS,9bS)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol is COc1ccc2c(c1)OC[C@]1(CO)CN(Cc3c(C)noc3C)C[C@H]21.
What is the InChIKey of [(3aS,9bS)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol?
The InChIKey is RYIQDLGDJZAXDA-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-12-16(13(2)25-20-12)7-21-8-17-15-5-4-14(23-3)6-18(15)24-11-19(17,9-21)10-22/h4-6,17,22H,7-11H2,1-3H3/t17-,19-/m1/s1.
What are the key properties of [(3aS,9bS)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol?
[(3aS,9bS)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol has a molecular weight of 344.41 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,9bS)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol is sourced from PubChem (CID 72905415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).