5-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide

C17H16N4O2S — CID 97442821

IUPAC5-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
SMILESO=C(NCc1cccs1)c1nc2c(o1)CN(Cc1cccnc1)C2
InChIInChI=1S/C17H16N4O2S/c22-16(19-8-13-4-2-6-24-13)17-20-14-10-21(11-15(14)23-17)9-12-3-1-5-18-7-12/h1-7H,8-11H2,(H,19,22)
InChIKeyYWVPUDCEPQEYBC-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.58
Rot. Bonds5

About 5-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide

5-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide (PubChem CID 97442821) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 5-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide.

Molecular Properties

Compound Name5-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
PubChem CID97442821
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name5-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
SMILESO=C(NCc1cccs1)c1nc2c(o1)CN(Cc1cccnc1)C2
InChIInChI=1S/C17H16N4O2S/c22-16(19-8-13-4-2-6-24-13)17-20-14-10-21(11-15(14)23-17)9-12-3-1-5-18-7-12/h1-7H,8-11H2,(H,19,22)
InChIKeyYWVPUDCEPQEYBC-UHFFFAOYSA-N
XLogP2.58
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The IUPAC name of 5-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide (CID 97442821) is 5-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide.
What is the SMILES notation for 5-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The canonical SMILES for 5-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide is O=C(NCc1cccs1)c1nc2c(o1)CN(Cc1cccnc1)C2.
What is the InChIKey of 5-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The InChIKey is YWVPUDCEPQEYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c22-16(19-8-13-4-2-6-24-13)17-20-14-10-21(11-15(14)23-17)9-12-3-1-5-18-7-12/h1-7H,8-11H2,(H,19,22).
What are the key properties of 5-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
5-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide is sourced from PubChem (CID 97442821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).