N-[(3S,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]-1,2-oxazole-5-carboxamide;hydrochloride

C11H16ClN3O3 — CID 127021159

IUPACN-[(3S,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]-1,2-oxazole-5-carboxamide;hydrochloride
SMILESCl.O=C(N[C@H]1CN[C@H]2CCCO[C@H]21)c1ccno1
InChIInChI=1S/C11H15N3O3.ClH/c15-11(9-3-4-13-17-9)14-8-6-12-7-2-1-5-16-10(7)8;/h3-4,7-8,10,12H,1-2,5-6H2,(H,14,15);1H/t7-,8-,10+;/m0./s1
InChIKeyPGMGBSHYWYKSSD-ANYFZDTESA-N
MW273.72 g/mol
LogP0.35
Rot. Bonds2

About N-[(3S,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]-1,2-oxazole-5-carboxamide;hydrochloride

N-[(3S,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]-1,2-oxazole-5-carboxamide;hydrochloride (PubChem CID 127021159) has the molecular formula C11H16ClN3O3 and a molecular weight of 273.72 g/mol. Its IUPAC name is N-[(3S,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]-1,2-oxazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3S,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]-1,2-oxazole-5-carboxamide;hydrochloride
PubChem CID127021159
Molecular FormulaC11H16ClN3O3
Molecular Weight273.72 g/mol
Exact Mass273.09
IUPAC NameN-[(3S,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]-1,2-oxazole-5-carboxamide;hydrochloride
SMILESCl.O=C(N[C@H]1CN[C@H]2CCCO[C@H]21)c1ccno1
InChIInChI=1S/C11H15N3O3.ClH/c15-11(9-3-4-13-17-9)14-8-6-12-7-2-1-5-16-10(7)8;/h3-4,7-8,10,12H,1-2,5-6H2,(H,14,15);1H/t7-,8-,10+;/m0./s1
InChIKeyPGMGBSHYWYKSSD-ANYFZDTESA-N
XLogP0.35
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]-1,2-oxazole-5-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[(3R,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide;dihydrochloride
CID 127021534
N-[(3S,3aS,7aR)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]-1-methylimidazole-2-carboxamide
CID 97379878
N-cyclobutyl-1,2-oxazole-5-carboxamide
CID 126857173
N-[(3R,3aR,7aR)-1-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]-1,2-oxazole-5-carboxamide
CID 98777437
N-[(3R,3aS,7aS)-1-[(1-methylimidazol-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]-1,2-oxazole-5-carboxamide
CID 97461372
N-[(4aS,8R,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridin-8-yl]pyridine-4-carboxamide;dihydrochloride
CID 155843708
N-(6-oxopiperidin-3-yl)-1,2-oxazole-5-carboxamide
CID 63663681
N-[(2-hydroxycyclohexyl)methyl]-1,2-oxazole-5-carboxamide
CID 64928484
N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-oxazole-5-carboxamide
CID 56702942
2-cyclopropyl-2-(1,2-oxazole-5-carbonylamino)acetic acid
CID 62697237
N-(1-cyclopropylethyl)-1,2-oxazole-5-carboxamide
CID 130718675
N-[(4aS,8R,8aS)-6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridazine-4-carboxamide
CID 97364568

Frequently Asked Questions

What is the IUPAC name of N-[(3S,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]-1,2-oxazole-5-carboxamide;hydrochloride?
The IUPAC name of N-[(3S,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]-1,2-oxazole-5-carboxamide;hydrochloride (CID 127021159) is N-[(3S,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]-1,2-oxazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3S,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]-1,2-oxazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-[(3S,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]-1,2-oxazole-5-carboxamide;hydrochloride is Cl.O=C(N[C@H]1CN[C@H]2CCCO[C@H]21)c1ccno1.
What is the InChIKey of N-[(3S,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]-1,2-oxazole-5-carboxamide;hydrochloride?
The InChIKey is PGMGBSHYWYKSSD-ANYFZDTESA-N. The full InChI is InChI=1S/C11H15N3O3.ClH/c15-11(9-3-4-13-17-9)14-8-6-12-7-2-1-5-16-10(7)8;/h3-4,7-8,10,12H,1-2,5-6H2,(H,14,15);1H/t7-,8-,10+;/m0./s1.
What are the key properties of N-[(3S,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]-1,2-oxazole-5-carboxamide;hydrochloride?
N-[(3S,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]-1,2-oxazole-5-carboxamide;hydrochloride has a molecular weight of 273.72 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]-1,2-oxazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 127021159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).