[(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone

C18H21N5O3 — CID 97474316

IUPAC[(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
SMILESO=C(c1ccncn1)N1CC[C@@H]2[C@@H](CO[C@H]2Cc2nnc(C3CC3)o2)C1
InChIInChI=1S/C18H21N5O3/c24-18(14-3-5-19-10-20-14)23-6-4-13-12(8-23)9-25-15(13)7-16-21-22-17(26-16)11-1-2-11/h3,5,10-13,15H,1-2,4,6-9H2/t12-,13-,15+/m1/s1
InChIKeyGIGFNZZROARIJS-NFAWXSAZSA-N
MW355.40 g/mol
LogP1.46
Rot. Bonds4

About [(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone

[(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone (PubChem CID 97474316) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is [(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
PubChem CID97474316
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name[(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
SMILESO=C(c1ccncn1)N1CC[C@@H]2[C@@H](CO[C@H]2Cc2nnc(C3CC3)o2)C1
InChIInChI=1S/C18H21N5O3/c24-18(14-3-5-19-10-20-14)23-6-4-13-12(8-23)9-25-15(13)7-16-21-22-17(26-16)11-1-2-11/h3,5,10-13,15H,1-2,4,6-9H2/t12-,13-,15+/m1/s1
InChIKeyGIGFNZZROARIJS-NFAWXSAZSA-N
XLogP1.46
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone with MolForge

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Related Compounds

[(3aS,7aR)-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(2-methylpyrazol-3-yl)methanone
CID 97422692
[(1S,3aR,7aR)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-2-ylmethanone
CID 97474589
[(1S,3aR,7aR)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 97485297
[(2R,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyrimidin-4-ylmethanone
CID 97486292
[(3aR,7aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 97949893
[(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 124806526
[(2S,3aR,6aR)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyrimidin-4-ylmethanone
CID 124809113
[(3aR,7aS)-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(2-methylpyrazol-3-yl)methanone
CID 124813054
9-(1-Ethyl-1H-pyrazole-5-carbonyl)-4-(pyrimidin-2-yloxy)-1-oxa-9-azaspiro[5.5]undecane
CID 132339818
9-(1-Ethyl-1H-pyrazole-3-carbonyl)-4-(pyrimidin-2-yloxy)-1-oxa-9-azaspiro[5.5]undecane
CID 132339819
2-[3-(5-Isopropyl-1,3,4-oxadiazol-2-YL)-8-(4-pyrimidinylcarbonyl)-2,8-diazaspiro[4.5]dec-2-YL]-N,N-dimethylacetamide
CID 146067227
[(3AR,7AR)-2-Cyclopentyl-7A-(5-methyl-1,3,4-oxadiazol-2-YL)octahydro-5H-pyrrolo[3,4-C]pyridin-5-YL](4-pyrimidinyl)methanone
CID 146068636

Frequently Asked Questions

What is the IUPAC name of [(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone (CID 97474316) is [(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone is O=C(c1ccncn1)N1CC[C@@H]2[C@@H](CO[C@H]2Cc2nnc(C3CC3)o2)C1.
What is the InChIKey of [(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone?
The InChIKey is GIGFNZZROARIJS-NFAWXSAZSA-N. The full InChI is InChI=1S/C18H21N5O3/c24-18(14-3-5-19-10-20-14)23-6-4-13-12(8-23)9-25-15(13)7-16-21-22-17(26-16)11-1-2-11/h3,5,10-13,15H,1-2,4,6-9H2/t12-,13-,15+/m1/s1.
What are the key properties of [(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone?
[(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone has a molecular weight of 355.40 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 97474316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).