[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone

C14H18N4O3 — CID 97477187

IUPAC[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESO=C(N1CCCO1)[C@]12COC[C@H]1CN(c1ncccn1)C2
InChIInChI=1S/C14H18N4O3/c19-12(18-5-2-6-21-18)14-9-17(7-11(14)8-20-10-14)13-15-3-1-4-16-13/h1,3-4,11H,2,5-10H2/t11-,14-/m1/s1
InChIKeyHQOQSAQZBMPQFV-BXUZGUMPSA-N
MW290.32 g/mol
LogP0.09
Rot. Bonds2

About [(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone

[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone (PubChem CID 97477187) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is [(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone
PubChem CID97477187
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESO=C(N1CCCO1)[C@]12COC[C@H]1CN(c1ncccn1)C2
InChIInChI=1S/C14H18N4O3/c19-12(18-5-2-6-21-18)14-9-17(7-11(14)8-20-10-14)13-15-3-1-4-16-13/h1,3-4,11H,2,5-10H2/t11-,14-/m1/s1
InChIKeyHQOQSAQZBMPQFV-BXUZGUMPSA-N
XLogP0.09
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone with MolForge

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Related Compounds

(3aR,6aS)-5-(2-methoxyethyl)-2-pyrimidin-2-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97507505
(3aR,6aS)-5-(cyclopropylmethyl)-2-pyrimidin-2-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97507554
(3aR,6aS)-2-pyrimidin-2-yl-5-(2-pyrrolidin-1-ylethyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97507574
(3aS,6aR)-2-(oxolan-3-ylmethyl)-5-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 127023585
(3aR,6aR)-N-(3,3-difluorocyclobutyl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
CID 97422368
(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 97473978
(3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 124807768
methyl (3aS*,6aS*)-2-[(3E)-hex-3-enoyl]-5-pyrimidin-2-ylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxylate
CID 46982463
(3aR*,6aR*)-N-{[1-(methoxymethyl)cyclopropyl]methyl}-2-pyrimidin-2-ylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
CID 50948928
(3aS,6aS)-5-(2-methylpropoxycarbonyl)-2-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 50965126
methyl (3aS,6aS)-5-hex-3-enoyl-2-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylate
CID 72083407
[(3aS,6aR)-2-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(oxan-4-yl)methanone
CID 97377127

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of [(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone (CID 97477187) is [(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for [(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for [(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone is O=C(N1CCCO1)[C@]12COC[C@H]1CN(c1ncccn1)C2.
What is the InChIKey of [(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is HQOQSAQZBMPQFV-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H18N4O3/c19-12(18-5-2-6-21-18)14-9-17(7-11(14)8-20-10-14)13-15-3-1-4-16-13/h1,3-4,11H,2,5-10H2/t11-,14-/m1/s1.
What are the key properties of [(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone?
[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 290.32 g/mol, XLogP of 0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 97477187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).