(3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

C16H25N3O3 — CID 97362706

IUPAC(3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCc1noc(C)c1CN1CC[C@H]2OCC[C@@]2(C(=O)N(C)C)C1
InChIInChI=1S/C16H25N3O3/c1-11-13(12(2)22-17-11)9-19-7-5-14-16(10-19,6-8-21-14)15(20)18(3)4/h14H,5-10H2,1-4H3/t14-,16-/m1/s1
InChIKeyQTKOAOWBLMWKRI-GDBMZVCRSA-N
MW307.39 g/mol
LogP1.36
Rot. Bonds3

About (3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

(3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (PubChem CID 97362706) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is (3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.

Molecular Properties

Compound Name(3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
PubChem CID97362706
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name(3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCc1noc(C)c1CN1CC[C@H]2OCC[C@@]2(C(=O)N(C)C)C1
InChIInChI=1S/C16H25N3O3/c1-11-13(12(2)22-17-11)9-19-7-5-14-16(10-19,6-8-21-14)15(20)18(3)4/h14H,5-10H2,1-4H3/t14-,16-/m1/s1
InChIKeyQTKOAOWBLMWKRI-GDBMZVCRSA-N
XLogP1.36
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide with MolForge

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Related Compounds

(2,6-Dimethylmorpholin-4-yl)(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 3245328
(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3233198
7-(2,2-Dimethylpropyl)-2-[(3-ethyl-5-methyl-4-isoxazolyl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45218508
[(3aR,7S,7aR)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(oxazinan-2-yl)methanone
CID 97362653
[(3aR,7S,7aR)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97362664
(3aR,7aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97362692
(3aR,7aR)-N-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97362698
(3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-methoxyethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97362715
[(3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-pyrrolidin-1-ylmethanone
CID 97362725
[(3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-morpholin-4-ylmethanone
CID 97362733
(3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97362774
(3aR,7aR)-N-cyclopentyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97362793

Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The IUPAC name of (3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (CID 97362706) is (3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.
What is the SMILES notation for (3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The canonical SMILES for (3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is Cc1noc(C)c1CN1CC[C@H]2OCC[C@@]2(C(=O)N(C)C)C1.
What is the InChIKey of (3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The InChIKey is QTKOAOWBLMWKRI-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11-13(12(2)22-17-11)9-19-7-5-14-16(10-19,6-8-21-14)15(20)18(3)4/h14H,5-10H2,1-4H3/t14-,16-/m1/s1.
What are the key properties of (3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
(3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is sourced from PubChem (CID 97362706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).