(4aR,6S,8aR)-4-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide

C15H24N4O2 — CID 166624039

IUPAC(4aR,6S,8aR)-4-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide
SMILESCN(C)C(=O)[C@H]1CC[C@H]2OCCN(Cc3ncc[nH]3)[C@@H]2C1
InChIInChI=1S/C15H24N4O2/c1-18(2)15(20)11-3-4-13-12(9-11)19(7-8-21-13)10-14-16-5-6-17-14/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,16,17)/t11-,12+,13+/m0/s1
InChIKeyQGBFLSAZTQENTI-YNEHKIRRSA-N
MW292.38 g/mol
LogP0.87
Rot. Bonds3

About (4aR,6S,8aR)-4-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide

(4aR,6S,8aR)-4-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide (PubChem CID 166624039) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (4aR,6S,8aR)-4-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide.

Molecular Properties

Compound Name(4aR,6S,8aR)-4-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide
PubChem CID166624039
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name(4aR,6S,8aR)-4-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide
SMILESCN(C)C(=O)[C@H]1CC[C@H]2OCCN(Cc3ncc[nH]3)[C@@H]2C1
InChIInChI=1S/C15H24N4O2/c1-18(2)15(20)11-3-4-13-12(9-11)19(7-8-21-13)10-14-16-5-6-17-14/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,16,17)/t11-,12+,13+/m0/s1
InChIKeyQGBFLSAZTQENTI-YNEHKIRRSA-N
XLogP0.87
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4aR,6S,8aR)-4-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide with MolForge

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Related Compounds

(4aR,6S,8aR)-N,N-dimethyl-4-pyrimidin-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide;hydrochloride
CID 171317128
(3aR,6S,7aR)-N,N-dimethyl-4-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 131682357
[(4aR,6S,8aR)-4-(1H-imidazole-2-carbonyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-6-yl]-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone;formic acid
CID 163340654
(4aR,6S,8aR)-4-(4-cyano-1H-pyrrole-2-carbonyl)-N-[2-(1H-imidazol-2-yl)ethyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide
CID 156586882
(3aR,6S,7aR)-N,N-dimethyl-4-[(6-methylpyrazin-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 131682352
(2S)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-2-carboxamide
CID 103873085
(3S)-4-(1H-imidazol-2-ylmethyl)-3-propylmorpholine
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1-[(4aR,7aS)-1-(1H-imidazol-2-ylmethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-3-methylbut-2-en-1-one
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Frequently Asked Questions

What is the IUPAC name of (4aR,6S,8aR)-4-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide?
The IUPAC name of (4aR,6S,8aR)-4-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide (CID 166624039) is (4aR,6S,8aR)-4-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide.
What is the SMILES notation for (4aR,6S,8aR)-4-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide?
The canonical SMILES for (4aR,6S,8aR)-4-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide is CN(C)C(=O)[C@H]1CC[C@H]2OCCN(Cc3ncc[nH]3)[C@@H]2C1.
What is the InChIKey of (4aR,6S,8aR)-4-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide?
The InChIKey is QGBFLSAZTQENTI-YNEHKIRRSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-18(2)15(20)11-3-4-13-12(9-11)19(7-8-21-13)10-14-16-5-6-17-14/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,16,17)/t11-,12+,13+/m0/s1.
What are the key properties of (4aR,6S,8aR)-4-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide?
(4aR,6S,8aR)-4-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,6S,8aR)-4-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide is sourced from PubChem (CID 166624039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).