[(4aR,8aR)-4a-hydroxy-7-(pyrrolidine-1-carbonyl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

C18H26N4O4 — CID 72882532

IUPAC[(4aR,8aR)-4a-hydroxy-7-(pyrrolidine-1-carbonyl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC[C@@]3(O)CCN(C(=O)N4CCCC4)C[C@H]3C2)no1
InChIInChI=1S/C18H26N4O4/c1-13-10-15(19-26-13)16(23)21-8-4-18(25)5-9-22(12-14(18)11-21)17(24)20-6-2-3-7-20/h10,14,25H,2-9,11-12H2,1H3/t14-,18-/m1/s1
InChIKeyBTZOPXVBUGMCKH-RDTXWAMCSA-N
MW362.43 g/mol
LogP1.10
Rot. Bonds1

About [(4aR,8aR)-4a-hydroxy-7-(pyrrolidine-1-carbonyl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

[(4aR,8aR)-4a-hydroxy-7-(pyrrolidine-1-carbonyl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 72882532) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is [(4aR,8aR)-4a-hydroxy-7-(pyrrolidine-1-carbonyl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(4aR,8aR)-4a-hydroxy-7-(pyrrolidine-1-carbonyl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID72882532
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name[(4aR,8aR)-4a-hydroxy-7-(pyrrolidine-1-carbonyl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC[C@@]3(O)CCN(C(=O)N4CCCC4)C[C@H]3C2)no1
InChIInChI=1S/C18H26N4O4/c1-13-10-15(19-26-13)16(23)21-8-4-18(25)5-9-22(12-14(18)11-21)17(24)20-6-2-3-7-20/h10,14,25H,2-9,11-12H2,1H3/t14-,18-/m1/s1
InChIKeyBTZOPXVBUGMCKH-RDTXWAMCSA-N
XLogP1.10
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(4aR,8aR)-4a-hydroxy-7-(pyrrolidine-1-carbonyl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

[(4aS,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 124860723
(5-methyl-1,2-oxazol-3-yl)-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110645762
[(4aR,8aR)-4a-hydroxy-7-(pyrrolidine-1-carbonyl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-(1-methylpyrrol-2-yl)methanone
CID 72881384
methyl 1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate
CID 78919150
[(4aS,8aS)-4a-hydroxy-7-(3-methyl-1,2-oxazole-5-carbonyl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-cyclobutylmethanone
CID 72855072
5-methyl-N-[(3S)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-1,2-oxazole-3-carboxamide
CID 96576211
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129366335
(4-chloropiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 66155616
(3,5-dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51072597
6-(5-methyl-1,2-oxazole-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136491
(5-methyl-1,2-oxazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428158
(3-chloro-4-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 102961313

Frequently Asked Questions

What is the IUPAC name of [(4aR,8aR)-4a-hydroxy-7-(pyrrolidine-1-carbonyl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [(4aR,8aR)-4a-hydroxy-7-(pyrrolidine-1-carbonyl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 72882532) is [(4aR,8aR)-4a-hydroxy-7-(pyrrolidine-1-carbonyl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(4aR,8aR)-4a-hydroxy-7-(pyrrolidine-1-carbonyl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(4aR,8aR)-4a-hydroxy-7-(pyrrolidine-1-carbonyl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2CC[C@@]3(O)CCN(C(=O)N4CCCC4)C[C@H]3C2)no1.
What is the InChIKey of [(4aR,8aR)-4a-hydroxy-7-(pyrrolidine-1-carbonyl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is BTZOPXVBUGMCKH-RDTXWAMCSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-13-10-15(19-26-13)16(23)21-8-4-18(25)5-9-22(12-14(18)11-21)17(24)20-6-2-3-7-20/h10,14,25H,2-9,11-12H2,1H3/t14-,18-/m1/s1.
What are the key properties of [(4aR,8aR)-4a-hydroxy-7-(pyrrolidine-1-carbonyl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[(4aR,8aR)-4a-hydroxy-7-(pyrrolidine-1-carbonyl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 362.43 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,8aR)-4a-hydroxy-7-(pyrrolidine-1-carbonyl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 72882532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).