N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1,2-oxazole-5-carboxamide

C12H17N3O3 — CID 124548013

IUPACN-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC[C@H]1OC[C@@H]2CCNC[C@@H]21)c1ccno1
InChIInChI=1S/C12H17N3O3/c16-12(10-2-4-15-18-10)14-6-11-9-5-13-3-1-8(9)7-17-11/h2,4,8-9,11,13H,1,3,5-7H2,(H,14,16)/t8-,9-,11+/m0/s1
InChIKeyQKWBIJNIELSCAK-ATZCPNFKSA-N
MW251.29 g/mol
LogP0.03
Rot. Bonds3

About N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1,2-oxazole-5-carboxamide

N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 124548013) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID124548013
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC[C@H]1OC[C@@H]2CCNC[C@@H]21)c1ccno1
InChIInChI=1S/C12H17N3O3/c16-12(10-2-4-15-18-10)14-6-11-9-5-13-3-1-8(9)7-17-11/h2,4,8-9,11,13H,1,3,5-7H2,(H,14,16)/t8-,9-,11+/m0/s1
InChIKeyQKWBIJNIELSCAK-ATZCPNFKSA-N
XLogP0.03
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 155835134
N-[[(3S,3aR,7aR)-5-[(5-methylthiophen-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 97379028
N-[[(3S,3aR,7aR)-5-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 155829564
N-[(2-hydroxycyclohexyl)methyl]-1,2-oxazole-5-carboxamide
CID 64928484
N-[[(1S,3aS,7aS)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-1-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
CID 155850689
N-(6-oxopiperidin-3-yl)-1,2-oxazole-5-carboxamide
CID 63663681
N-(4-hydroxycyclohexyl)-1,2-oxazole-5-carboxamide
CID 43389643
N-cyclobutyl-1,2-oxazole-5-carboxamide
CID 126857173
N-(1-adamantylmethyl)-1,2-oxazole-5-carboxamide
CID 143497665
N-methyl-N-piperidin-3-yl-1,2-oxazole-5-carboxamide
CID 63643873
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 90521311
N-[2-(methylamino)ethyl]-1,2-oxazole-5-carboxamide
CID 62659482

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1,2-oxazole-5-carboxamide (CID 124548013) is N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1,2-oxazole-5-carboxamide is O=C(NC[C@H]1OC[C@@H]2CCNC[C@@H]21)c1ccno1.
What is the InChIKey of N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is QKWBIJNIELSCAK-ATZCPNFKSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-12(10-2-4-15-18-10)14-6-11-9-5-13-3-1-8(9)7-17-11/h2,4,8-9,11,13H,1,3,5-7H2,(H,14,16)/t8-,9-,11+/m0/s1.
What are the key properties of N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1,2-oxazole-5-carboxamide?
N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 124548013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).