(3aS,6aS)-N-(cyclopropylmethyl)-5-[5-(3-methyl-1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide

C19H23N3O6S — CID 170510083

IUPAC(3aS,6aS)-N-(cyclopropylmethyl)-5-[5-(3-methyl-1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
SMILESCc1cc(-c2ccc(S(=O)(=O)N3C[C@H]4COC[C@@]4(C(=O)NCC4CC4)C3)o2)on1
InChIInChI=1S/C19H23N3O6S/c1-12-6-16(28-21-12)15-4-5-17(27-15)29(24,25)22-8-14-9-26-11-19(14,10-22)18(23)20-7-13-2-3-13/h4-6,13-14H,2-3,7-11H2,1H3,(H,20,23)/t14-,19-/m0/s1
InChIKeyUPFAUQFRMRHQDZ-LIRRHRJNSA-N
MW421.48 g/mol
LogP1.41
Rot. Bonds6

About (3aS,6aS)-N-(cyclopropylmethyl)-5-[5-(3-methyl-1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide

(3aS,6aS)-N-(cyclopropylmethyl)-5-[5-(3-methyl-1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide (PubChem CID 170510083) has the molecular formula C19H23N3O6S and a molecular weight of 421.48 g/mol. Its IUPAC name is (3aS,6aS)-N-(cyclopropylmethyl)-5-[5-(3-methyl-1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide.

Molecular Properties

Compound Name(3aS,6aS)-N-(cyclopropylmethyl)-5-[5-(3-methyl-1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
PubChem CID170510083
Molecular FormulaC19H23N3O6S
Molecular Weight421.48 g/mol
Exact Mass421.13
IUPAC Name(3aS,6aS)-N-(cyclopropylmethyl)-5-[5-(3-methyl-1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
SMILESCc1cc(-c2ccc(S(=O)(=O)N3C[C@H]4COC[C@@]4(C(=O)NCC4CC4)C3)o2)on1
InChIInChI=1S/C19H23N3O6S/c1-12-6-16(28-21-12)15-4-5-17(27-15)29(24,25)22-8-14-9-26-11-19(14,10-22)18(23)20-7-13-2-3-13/h4-6,13-14H,2-3,7-11H2,1H3,(H,20,23)/t14-,19-/m0/s1
InChIKeyUPFAUQFRMRHQDZ-LIRRHRJNSA-N
XLogP1.41
TPSA114.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3aS,6aS)-N-(cyclopropylmethyl)-5-[5-(3-methyl-1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-N-(cyclopropylmethyl)-5-[5-(3-methyl-1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
The IUPAC name of (3aS,6aS)-N-(cyclopropylmethyl)-5-[5-(3-methyl-1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide (CID 170510083) is (3aS,6aS)-N-(cyclopropylmethyl)-5-[5-(3-methyl-1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide.
What is the SMILES notation for (3aS,6aS)-N-(cyclopropylmethyl)-5-[5-(3-methyl-1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
The canonical SMILES for (3aS,6aS)-N-(cyclopropylmethyl)-5-[5-(3-methyl-1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide is Cc1cc(-c2ccc(S(=O)(=O)N3C[C@H]4COC[C@@]4(C(=O)NCC4CC4)C3)o2)on1.
What is the InChIKey of (3aS,6aS)-N-(cyclopropylmethyl)-5-[5-(3-methyl-1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
The InChIKey is UPFAUQFRMRHQDZ-LIRRHRJNSA-N. The full InChI is InChI=1S/C19H23N3O6S/c1-12-6-16(28-21-12)15-4-5-17(27-15)29(24,25)22-8-14-9-26-11-19(14,10-22)18(23)20-7-13-2-3-13/h4-6,13-14H,2-3,7-11H2,1H3,(H,20,23)/t14-,19-/m0/s1.
What are the key properties of (3aS,6aS)-N-(cyclopropylmethyl)-5-[5-(3-methyl-1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
(3aS,6aS)-N-(cyclopropylmethyl)-5-[5-(3-methyl-1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-N-(cyclopropylmethyl)-5-[5-(3-methyl-1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide is sourced from PubChem (CID 170510083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).