[(4aR,8aS)-8a-methyl-3-methylidene-4a,5,7,8-tetrahydro-4H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-ethylazetidin-1-yl)methanone;molecular hydrogen

C15H27N3O2 — CID 153403762

IUPAC[(4aR,8aS)-8a-methyl-3-methylidene-4a,5,7,8-tetrahydro-4H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-ethylazetidin-1-yl)methanone;molecular hydrogen
SMILESC=C1CO[C@@]2(C)CCN(C(=O)N3CC(CC)C3)C[C@H]2N1.[H][H]
InChIInChI=1S/C15H25N3O2.H2/c1-4-12-7-18(8-12)14(19)17-6-5-15(3)13(9-17)16-11(2)10-20-15;/h12-13,16H,2,4-10H2,1,3H3;1H/t13-,15+;/m1./s1
InChIKeyKEGZQUADHCMRJS-PBCQUBLHSA-N
MW281.40 g/mol
LogP1.66
Rot. Bonds1

About [(4aR,8aS)-8a-methyl-3-methylidene-4a,5,7,8-tetrahydro-4H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-ethylazetidin-1-yl)methanone;molecular hydrogen

[(4aR,8aS)-8a-methyl-3-methylidene-4a,5,7,8-tetrahydro-4H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-ethylazetidin-1-yl)methanone;molecular hydrogen (PubChem CID 153403762) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is [(4aR,8aS)-8a-methyl-3-methylidene-4a,5,7,8-tetrahydro-4H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-ethylazetidin-1-yl)methanone;molecular hydrogen.

Molecular Properties

Compound Name[(4aR,8aS)-8a-methyl-3-methylidene-4a,5,7,8-tetrahydro-4H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-ethylazetidin-1-yl)methanone;molecular hydrogen
PubChem CID153403762
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name[(4aR,8aS)-8a-methyl-3-methylidene-4a,5,7,8-tetrahydro-4H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-ethylazetidin-1-yl)methanone;molecular hydrogen
SMILESC=C1CO[C@@]2(C)CCN(C(=O)N3CC(CC)C3)C[C@H]2N1.[H][H]
InChIInChI=1S/C15H25N3O2.H2/c1-4-12-7-18(8-12)14(19)17-6-5-15(3)13(9-17)16-11(2)10-20-15;/h12-13,16H,2,4-10H2,1,3H3;1H/t13-,15+;/m1./s1
InChIKeyKEGZQUADHCMRJS-PBCQUBLHSA-N
XLogP1.66
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(4aR,8aS)-8a-methyl-3-methylidene-4a,5,7,8-tetrahydro-4H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-ethylazetidin-1-yl)methanone;molecular hydrogen with MolForge

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Related Compounds

[(4aS,8aR)-8a-methyl-3-methylidene-4a,5,7,8-tetrahydro-4H-pyrido[4,3-b][1,4]oxazin-6-yl]-[4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methanone
CID 146389979
[(4aR)-3-methylidene-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]-(4-ethylpiperidin-1-yl)methanone
CID 153403794
2-[1-(4-ethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64617041
1-[3-(3-ethylcyclobutyl)prop-1-en-2-yl]-4,4-dimethylpiperidine
CID 162753504
1-(3-aminopyrrolidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 55176605
2-[1-(4,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 79605697
1-(4,4-dimethylpiperidin-1-yl)ethanone;propane
CID 166079085
2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid
CID 79181595
1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid
CID 63127514
2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]acetic acid
CID 64618080
1-(3-aminopiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63124373
2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)ethanone
CID 115740816

Frequently Asked Questions

What is the IUPAC name of [(4aR,8aS)-8a-methyl-3-methylidene-4a,5,7,8-tetrahydro-4H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-ethylazetidin-1-yl)methanone;molecular hydrogen?
The IUPAC name of [(4aR,8aS)-8a-methyl-3-methylidene-4a,5,7,8-tetrahydro-4H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-ethylazetidin-1-yl)methanone;molecular hydrogen (CID 153403762) is [(4aR,8aS)-8a-methyl-3-methylidene-4a,5,7,8-tetrahydro-4H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-ethylazetidin-1-yl)methanone;molecular hydrogen.
What is the SMILES notation for [(4aR,8aS)-8a-methyl-3-methylidene-4a,5,7,8-tetrahydro-4H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-ethylazetidin-1-yl)methanone;molecular hydrogen?
The canonical SMILES for [(4aR,8aS)-8a-methyl-3-methylidene-4a,5,7,8-tetrahydro-4H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-ethylazetidin-1-yl)methanone;molecular hydrogen is C=C1CO[C@@]2(C)CCN(C(=O)N3CC(CC)C3)C[C@H]2N1.[H][H].
What is the InChIKey of [(4aR,8aS)-8a-methyl-3-methylidene-4a,5,7,8-tetrahydro-4H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-ethylazetidin-1-yl)methanone;molecular hydrogen?
The InChIKey is KEGZQUADHCMRJS-PBCQUBLHSA-N. The full InChI is InChI=1S/C15H25N3O2.H2/c1-4-12-7-18(8-12)14(19)17-6-5-15(3)13(9-17)16-11(2)10-20-15;/h12-13,16H,2,4-10H2,1,3H3;1H/t13-,15+;/m1./s1.
What are the key properties of [(4aR,8aS)-8a-methyl-3-methylidene-4a,5,7,8-tetrahydro-4H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-ethylazetidin-1-yl)methanone;molecular hydrogen?
[(4aR,8aS)-8a-methyl-3-methylidene-4a,5,7,8-tetrahydro-4H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-ethylazetidin-1-yl)methanone;molecular hydrogen has a molecular weight of 281.40 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,8aS)-8a-methyl-3-methylidene-4a,5,7,8-tetrahydro-4H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-ethylazetidin-1-yl)methanone;molecular hydrogen is sourced from PubChem (CID 153403762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).