3-[(2S)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole

C16H18N4O3 — CID 28737597

IUPAC3-[(2S)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole
SMILESCc1nonc1[C@@H]1CCCN1Cc1nc(-c2ccco2)oc1C
InChIInChI=1S/C16H18N4O3/c1-10-15(19-23-18-10)13-5-3-7-20(13)9-12-11(2)22-16(17-12)14-6-4-8-21-14/h4,6,8,13H,3,5,7,9H2,1-2H3/t13-/m0/s1
InChIKeySRKDCQRPOFFSGN-ZDUSSCGKSA-N
MW314.34 g/mol
LogP3.27
Rot. Bonds4

About 3-[(2S)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole

3-[(2S)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole (PubChem CID 28737597) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-[(2S)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-[(2S)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole
PubChem CID28737597
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Name3-[(2S)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole
SMILESCc1nonc1[C@@H]1CCCN1Cc1nc(-c2ccco2)oc1C
InChIInChI=1S/C16H18N4O3/c1-10-15(19-23-18-10)13-5-3-7-20(13)9-12-11(2)22-16(17-12)14-6-4-8-21-14/h4,6,8,13H,3,5,7,9H2,1-2H3/t13-/m0/s1
InChIKeySRKDCQRPOFFSGN-ZDUSSCGKSA-N
XLogP3.27
TPSA81.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole?
The IUPAC name of 3-[(2S)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole (CID 28737597) is 3-[(2S)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole.
What is the SMILES notation for 3-[(2S)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole?
The canonical SMILES for 3-[(2S)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole is Cc1nonc1[C@@H]1CCCN1Cc1nc(-c2ccco2)oc1C.
What is the InChIKey of 3-[(2S)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole?
The InChIKey is SRKDCQRPOFFSGN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-10-15(19-23-18-10)13-5-3-7-20(13)9-12-11(2)22-16(17-12)14-6-4-8-21-14/h4,6,8,13H,3,5,7,9H2,1-2H3/t13-/m0/s1.
What are the key properties of 3-[(2S)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole?
3-[(2S)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole has a molecular weight of 314.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole is sourced from PubChem (CID 28737597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).