(3S,7aR)-2-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

C14H15N3O2S — CID 11878371

IUPAC(3S,7aR)-2-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESCc1cc(N2C(=O)[C@H]3CCCN3[C@@H]2c2cccs2)no1
InChIInChI=1S/C14H15N3O2S/c1-9-8-12(15-19-9)17-13(11-5-3-7-20-11)16-6-2-4-10(16)14(17)18/h3,5,7-8,10,13H,2,4,6H2,1H3/t10-,13+/m1/s1
InChIKeyASOCAEHGWMUEFW-MFKMUULPSA-N
MW289.36 g/mol
LogP2.55
Rot. Bonds2

About (3S,7aR)-2-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

(3S,7aR)-2-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (PubChem CID 11878371) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is (3S,7aR)-2-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.

Molecular Properties

Compound Name(3S,7aR)-2-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
PubChem CID11878371
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name(3S,7aR)-2-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESCc1cc(N2C(=O)[C@H]3CCCN3[C@@H]2c2cccs2)no1
InChIInChI=1S/C14H15N3O2S/c1-9-8-12(15-19-9)17-13(11-5-3-7-20-11)16-6-2-4-10(16)14(17)18/h3,5,7-8,10,13H,2,4,6H2,1H3/t10-,13+/m1/s1
InChIKeyASOCAEHGWMUEFW-MFKMUULPSA-N
XLogP2.55
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S,7aR)-2-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,7aR)-2-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The IUPAC name of (3S,7aR)-2-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (CID 11878371) is (3S,7aR)-2-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.
What is the SMILES notation for (3S,7aR)-2-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The canonical SMILES for (3S,7aR)-2-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is Cc1cc(N2C(=O)[C@H]3CCCN3[C@@H]2c2cccs2)no1.
What is the InChIKey of (3S,7aR)-2-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The InChIKey is ASOCAEHGWMUEFW-MFKMUULPSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-9-8-12(15-19-9)17-13(11-5-3-7-20-11)16-6-2-4-10(16)14(17)18/h3,5,7-8,10,13H,2,4,6H2,1H3/t10-,13+/m1/s1.
What are the key properties of (3S,7aR)-2-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
(3S,7aR)-2-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one has a molecular weight of 289.36 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7aR)-2-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is sourced from PubChem (CID 11878371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).