[(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

C23H36N4O3 — CID 146389979

IUPAC[(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
SMILESC=C1CO[C@]2(C)CCN(C(=O)N3CCC(Cc4nc(C(C)(C)C)co4)CC3)C[C@@H]2N1
InChIInChI=1S/C23H36N4O3/c1-16-14-30-23(5)8-11-27(13-18(23)24-16)21(28)26-9-6-17(7-10-26)12-20-25-19(15-29-20)22(2,3)4/h15,17-18,24H,1,6-14H2,2-5H3/t18-,23+/m0/s1
InChIKeyFBMLVROKPDVUSA-FDDCHVKYSA-N
MW416.57 g/mol
LogP3.31
Rot. Bonds2

About [(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

[(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 (PubChem CID 146389979) has the molecular formula C23H36N4O3 and a molecular weight of 416.57 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID146389979
Molecular FormulaC23H36N4O3
Molecular Weight416.57 g/mol
Exact Mass416.28
IUPAC Name[(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
SMILESC=C1CO[C@]2(C)CCN(C(=O)N3CCC(Cc4nc(C(C)(C)C)co4)CC3)C[C@@H]2N1
InChIInChI=1S/C23H36N4O3/c1-16-14-30-23(5)8-11-27(13-18(23)24-16)21(28)26-9-6-17(7-10-26)12-20-25-19(15-29-20)22(2,3)4/h15,17-18,24H,1,6-14H2,2-5H3/t18-,23+/m0/s1
InChIKeyFBMLVROKPDVUSA-FDDCHVKYSA-N
XLogP3.31
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(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
[(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
1-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]ethanone
CID 115082455
1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-one
CID 115082322
1-[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]ethanone
CID 118546878
2-(4-tert-butyl-1,3-oxazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone
CID 58564094
2-(cyclopentylmethyl)-1,3-oxazole-4-carboxylic acid
CID 62234263
2-[1-(4,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 79605697
(2S,3R)-2-[1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]oxolane-3-carboxylic acid
CID 167772786
4-[(4-methyl-1,3-oxazol-2-yl)methyl]piperidin-1-amine
CID 123456570
1-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]propan-2-one
CID 115082483
(4-benzylpiperidin-1-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 108989730

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is C=C1CO[C@]2(C)CCN(C(=O)N3CCC(Cc4nc(C(C)(C)C)co4)CC3)C[C@@H]2N1.
What is the InChIKey of [(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?
The InChIKey is FBMLVROKPDVUSA-FDDCHVKYSA-N. The full InChI is InChI=1S/C23H36N4O3/c1-16-14-30-23(5)8-11-27(13-18(23)24-16)21(28)26-9-6-17(7-10-26)12-20-25-19(15-29-20)22(2,3)4/h15,17-18,24H,1,6-14H2,2-5H3/t18-,23+/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 416.57 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 146389979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).