[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate

C19H24N2O3 — CID 124858515

IUPAC[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
SMILESCCc1noc2ncc(C(=O)O[C@@H]3CC[C@H]4CCCC[C@H]4C3)cc12
InChIInChI=1S/C19H24N2O3/c1-2-17-16-10-14(11-20-18(16)24-21-17)19(22)23-15-8-7-12-5-3-4-6-13(12)9-15/h10-13,15H,2-9H2,1H3/t12-,13+,15-/m1/s1
InChIKeyPEZMBXRRRCDHTD-VNHYZAJKSA-N
MW328.41 g/mol
LogP4.30
Rot. Bonds3

About [(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate

[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 124858515) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is [(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Name[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
PubChem CID124858515
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
SMILESCCc1noc2ncc(C(=O)O[C@@H]3CC[C@H]4CCCC[C@H]4C3)cc12
InChIInChI=1S/C19H24N2O3/c1-2-17-16-10-14(11-20-18(16)24-21-17)19(22)23-15-8-7-12-5-3-4-6-13(12)9-15/h10-13,15H,2-9H2,1H3/t12-,13+,15-/m1/s1
InChIKeyPEZMBXRRRCDHTD-VNHYZAJKSA-N
XLogP4.30
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of [(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate (CID 124858515) is [(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for [(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for [(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate is CCc1noc2ncc(C(=O)O[C@@H]3CC[C@H]4CCCC[C@H]4C3)cc12.
What is the InChIKey of [(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is PEZMBXRRRCDHTD-VNHYZAJKSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-2-17-16-10-14(11-20-18(16)24-21-17)19(22)23-15-8-7-12-5-3-4-6-13(12)9-15/h10-13,15H,2-9H2,1H3/t12-,13+,15-/m1/s1.
What are the key properties of [(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?
[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 328.41 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 124858515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).