(1R,5R)-6-(5-ethyl-1,3-oxazole-4-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

C16H24N4O3 — CID 72847262

IUPAC(1R,5R)-6-(5-ethyl-1,3-oxazole-4-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
SMILESCCc1ocnc1C(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)N(C)C)C2
InChIInChI=1S/C16H24N4O3/c1-4-13-14(17-10-23-13)15(21)20-8-11-5-6-12(20)9-19(7-11)16(22)18(2)3/h10-12H,4-9H2,1-3H3/t11-,12+/m0/s1
InChIKeyZBWRTAAGZDDWLV-NWDGAFQWSA-N
MW320.39 g/mol
LogP1.46
Rot. Bonds2

About (1R,5R)-6-(5-ethyl-1,3-oxazole-4-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

(1R,5R)-6-(5-ethyl-1,3-oxazole-4-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide (PubChem CID 72847262) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is (1R,5R)-6-(5-ethyl-1,3-oxazole-4-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide.

Molecular Properties

Compound Name(1R,5R)-6-(5-ethyl-1,3-oxazole-4-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
PubChem CID72847262
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name(1R,5R)-6-(5-ethyl-1,3-oxazole-4-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
SMILESCCc1ocnc1C(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)N(C)C)C2
InChIInChI=1S/C16H24N4O3/c1-4-13-14(17-10-23-13)15(21)20-8-11-5-6-12(20)9-19(7-11)16(22)18(2)3/h10-12H,4-9H2,1-3H3/t11-,12+/m0/s1
InChIKeyZBWRTAAGZDDWLV-NWDGAFQWSA-N
XLogP1.46
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,5S)-6-(5-ethyl-1,3-oxazole-4-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 133132634
(1R,5R)-6-(2H-benzotriazole-5-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 72935256
(1R,5R)-6-(1H-indazole-3-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 72870268
(1R,5R)-N,N-dimethyl-6-[4-(tetrazol-1-ylmethyl)benzoyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 72851895
[(3S)-4-(5-ethyl-1,3-oxazole-4-carbonyl)-3-methylpiperazin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone
CID 95986872
(1R,5R)-N,N-dimethyl-6-(2-pyridin-2-ylsulfanylacetyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 72852612
(1R,5R)-N,N-dimethyl-6-[2-(2H-tetrazol-5-yl)benzoyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 72879586
(1R,5S)-6-N-(3,4-difluorophenyl)-3-N,3-N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3,6-dicarboxamide
CID 133114524
(1S,5S)-6-[4-(difluoromethoxy)benzoyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 133120286
(1R,5R)-6-(2-chloro-4-fluorobenzoyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 72941067
(1S,5S)-6-(2,4-dimethoxybenzoyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 133128191
(1R,5R)-N,N-dimethyl-6-(1-oxo-2H-isoquinoline-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 72918973

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-6-(5-ethyl-1,3-oxazole-4-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The IUPAC name of (1R,5R)-6-(5-ethyl-1,3-oxazole-4-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide (CID 72847262) is (1R,5R)-6-(5-ethyl-1,3-oxazole-4-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide.
What is the SMILES notation for (1R,5R)-6-(5-ethyl-1,3-oxazole-4-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The canonical SMILES for (1R,5R)-6-(5-ethyl-1,3-oxazole-4-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide is CCc1ocnc1C(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)N(C)C)C2.
What is the InChIKey of (1R,5R)-6-(5-ethyl-1,3-oxazole-4-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The InChIKey is ZBWRTAAGZDDWLV-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-4-13-14(17-10-23-13)15(21)20-8-11-5-6-12(20)9-19(7-11)16(22)18(2)3/h10-12H,4-9H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of (1R,5R)-6-(5-ethyl-1,3-oxazole-4-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
(1R,5R)-6-(5-ethyl-1,3-oxazole-4-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-6-(5-ethyl-1,3-oxazole-4-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide is sourced from PubChem (CID 72847262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).