[(4aS,8aS)-4-(cyclopropylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone

C15H23FN2O2 — CID 131686978

IUPAC[(4aS,8aS)-4-(cyclopropylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone
SMILESO=C(N1CC[C@@H]2OCCN(CC3CC3)[C@H]2C1)C1(F)CC1
InChIInChI=1S/C15H23FN2O2/c16-15(4-5-15)14(19)18-6-3-13-12(10-18)17(7-8-20-13)9-11-1-2-11/h11-13H,1-10H2/t12-,13-/m0/s1
InChIKeyHMNHQCNHYMHUAN-STQMWFEESA-N
MW282.36 g/mol
LogP1.20
Rot. Bonds3

About [(4aS,8aS)-4-(cyclopropylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone

[(4aS,8aS)-4-(cyclopropylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone (PubChem CID 131686978) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is [(4aS,8aS)-4-(cyclopropylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone.

Molecular Properties

Compound Name[(4aS,8aS)-4-(cyclopropylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone
PubChem CID131686978
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name[(4aS,8aS)-4-(cyclopropylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone
SMILESO=C(N1CC[C@@H]2OCCN(CC3CC3)[C@H]2C1)C1(F)CC1
InChIInChI=1S/C15H23FN2O2/c16-15(4-5-15)14(19)18-6-3-13-12(10-18)17(7-8-20-13)9-11-1-2-11/h11-13H,1-10H2/t12-,13-/m0/s1
InChIKeyHMNHQCNHYMHUAN-STQMWFEESA-N
XLogP1.20
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(4aS,8aS)-4-(cyclopropylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone with MolForge

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Related Compounds

[9-(Cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1-fluorocyclopropyl)methanone
CID 131684037
[(4aS,8aS)-4-(2-methoxyethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3,3-difluorocyclobutyl)methanone
CID 131685922
[(4aS,8aS)-4-(2-methoxyethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclobutyl)methanone
CID 131686038
[(4aS)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3,3-difluorocyclobutyl)methanone
CID 131686379
[(4aS,8aS)-4-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclobutyl)methanone
CID 131686731
[(4aS,8aS)-4-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3,3-difluorocyclobutyl)methanone
CID 131686732
[(4aS)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone
CID 131686932
[(4aS,8aS)-4-(2-methoxyethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone
CID 131686965
[(4aS)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclobutyl)methanone
CID 131687066
[(4aS,8aS)-4-(cyclopropylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3,3-difluorocyclobutyl)methanone
CID 131687227
[(4aS,8aS)-4-(cyclopropylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclobutyl)methanone
CID 131687232
[(4aS)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-fluorocyclobutyl)methanone
CID 131687655

Frequently Asked Questions

What is the IUPAC name of [(4aS,8aS)-4-(cyclopropylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone?
The IUPAC name of [(4aS,8aS)-4-(cyclopropylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone (CID 131686978) is [(4aS,8aS)-4-(cyclopropylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone.
What is the SMILES notation for [(4aS,8aS)-4-(cyclopropylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone?
The canonical SMILES for [(4aS,8aS)-4-(cyclopropylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone is O=C(N1CC[C@@H]2OCCN(CC3CC3)[C@H]2C1)C1(F)CC1.
What is the InChIKey of [(4aS,8aS)-4-(cyclopropylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone?
The InChIKey is HMNHQCNHYMHUAN-STQMWFEESA-N. The full InChI is InChI=1S/C15H23FN2O2/c16-15(4-5-15)14(19)18-6-3-13-12(10-18)17(7-8-20-13)9-11-1-2-11/h11-13H,1-10H2/t12-,13-/m0/s1.
What are the key properties of [(4aS,8aS)-4-(cyclopropylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone?
[(4aS,8aS)-4-(cyclopropylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone has a molecular weight of 282.36 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,8aS)-4-(cyclopropylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone is sourced from PubChem (CID 131686978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).