(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

C16H25N3O3 — CID 97362692

IUPAC(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
SMILESCc1cc(CN2CC[C@H]3OCC[C@@]3(C(=O)NC(C)C)C2)no1
InChIInChI=1S/C16H25N3O3/c1-11(2)17-15(20)16-5-7-21-14(16)4-6-19(10-16)9-13-8-12(3)22-18-13/h8,11,14H,4-7,9-10H2,1-3H3,(H,17,20)/t14-,16-/m1/s1
InChIKeyMKCAWNBQAZIRBB-GDBMZVCRSA-N
MW307.39 g/mol
LogP1.49
Rot. Bonds4

About (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

(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 (PubChem CID 97362692) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID97362692
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name(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
SMILESCc1cc(CN2CC[C@H]3OCC[C@@]3(C(=O)NC(C)C)C2)no1
InChIInChI=1S/C16H25N3O3/c1-11(2)17-15(20)16-5-7-21-14(16)4-6-19(10-16)9-13-8-12(3)22-18-13/h8,11,14H,4-7,9-10H2,1-3H3,(H,17,20)/t14-,16-/m1/s1
InChIKeyMKCAWNBQAZIRBB-GDBMZVCRSA-N
XLogP1.49
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Related Compounds

1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 72930425
(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,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97362706
(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]-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
[(3aR,7R,7aR)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(oxazinan-2-yl)methanone
CID 97364695
[(3aR,7aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-morpholin-4-ylmethanone
CID 97387263
[(3aR,7S,7aR)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(oxazinan-2-yl)methanone
CID 97949848
(3aR,7aR)-N-(2-methoxyethyl)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97949856
N-(2-methoxyethyl)-3-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 49795093

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cc(CN2CC[C@H]3OCC[C@@]3(C(=O)NC(C)C)C2)no1.
What is the InChIKey of (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?
The InChIKey is MKCAWNBQAZIRBB-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11(2)17-15(20)16-5-7-21-14(16)4-6-19(10-16)9-13-8-12(3)22-18-13/h8,11,14H,4-7,9-10H2,1-3H3,(H,17,20)/t14-,16-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 307.39 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 97362692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).