(3aS,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine

C19H25N3O3 — CID 97485586

IUPAC(3aS,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
SMILESCc1noc(C)c1CN1CC[C@H]2OCC[C@@]2(COc2cccnc2)C1
InChIInChI=1S/C19H25N3O3/c1-14-17(15(2)25-21-14)11-22-8-5-18-19(12-22,6-9-23-18)13-24-16-4-3-7-20-10-16/h3-4,7,10,18H,5-6,8-9,11-13H2,1-2H3/t18-,19+/m1/s1
InChIKeyAPOZPRWWFAFKPO-MOPGFXCFSA-N
MW343.43 g/mol
LogP2.75
Rot. Bonds5

About (3aS,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine

(3aS,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine (PubChem CID 97485586) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (3aS,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine.

Molecular Properties

Compound Name(3aS,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
PubChem CID97485586
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(3aS,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
SMILESCc1noc(C)c1CN1CC[C@H]2OCC[C@@]2(COc2cccnc2)C1
InChIInChI=1S/C19H25N3O3/c1-14-17(15(2)25-21-14)11-22-8-5-18-19(12-22,6-9-23-18)13-24-16-4-3-7-20-10-16/h3-4,7,10,18H,5-6,8-9,11-13H2,1-2H3/t18-,19+/m1/s1
InChIKeyAPOZPRWWFAFKPO-MOPGFXCFSA-N
XLogP2.75
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3aS,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine with MolForge

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Related Compounds

(4aR,8aS)-6-(pyridin-2-ylmethyl)-4a-(pyridin-3-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 97363947
(4aS,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-4a-(pyridin-3-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 124813720
6-methyl-4a-(pyridin-3-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 131661729
[(3aR,7aS)-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 124893689
(3aS,7aR)-5-(furan-3-ylmethyl)-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155828596
6-[(4-methyl-1,3-thiazol-5-yl)methyl]-4a-(pyridin-3-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155827960
(3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
CID 124794791
6-(pyridin-3-ylmethyl)-4a-(pyridin-3-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;tris(2,2,2-trifluoroacetic acid)
CID 155849634
4a-(methoxymethyl)-6-(pyridin-3-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 131646148
[(3aR,7aS)-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone
CID 124791193
(3aS,7aR)-N,N-dimethyl-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-5-carboxamide;2,2,2-trifluoroacetic acid
CID 155852731
[(3aS,7aR)-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone
CID 97422602

Frequently Asked Questions

What is the IUPAC name of (3aS,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine?
The IUPAC name of (3aS,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine (CID 97485586) is (3aS,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine.
What is the SMILES notation for (3aS,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine?
The canonical SMILES for (3aS,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine is Cc1noc(C)c1CN1CC[C@H]2OCC[C@@]2(COc2cccnc2)C1.
What is the InChIKey of (3aS,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine?
The InChIKey is APOZPRWWFAFKPO-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14-17(15(2)25-21-14)11-22-8-5-18-19(12-22,6-9-23-18)13-24-16-4-3-7-20-10-16/h3-4,7,10,18H,5-6,8-9,11-13H2,1-2H3/t18-,19+/m1/s1.
What are the key properties of (3aS,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine?
(3aS,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine has a molecular weight of 343.43 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine is sourced from PubChem (CID 97485586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).