(5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone

C35H34N8O7S — CID 159792245

IUPAC(5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
SMILESCc1oncc1C(=O)N1CCC[C@H](c2nc(Oc3ccccc3)no2)C1.O=C(c1cncs1)N1CCC[C@H](c2nc(Oc3ccccc3)no2)C1
InChIInChI=1S/C18H18N4O4.C17H16N4O3S/c1-12-15(10-19-25-12)17(23)22-9-5-6-13(11-22)16-20-18(21-26-16)24-14-7-3-2-4-8-14;22-16(14-9-18-11-25-14)21-8-4-5-12(10-21)15-19-17(20-24-15)23-13-6-2-1-3-7-13/h2-4,7-8,10,13H,5-6,9,11H2,1H3;1-3,6-7,9,11-12H,4-5,8,10H2/t13-;12-/m00/s1
InChIKeyNISBQRHWCVGSAH-IMECTCCJSA-N
MW710.77 g/mol
LogP6.52
Rot. Bonds8

About (5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone

(5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone (PubChem CID 159792245) has the molecular formula C35H34N8O7S and a molecular weight of 710.77 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
PubChem CID159792245
Molecular FormulaC35H34N8O7S
Molecular Weight710.77 g/mol
Exact Mass710.23
IUPAC Name(5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
SMILESCc1oncc1C(=O)N1CCC[C@H](c2nc(Oc3ccccc3)no2)C1.O=C(c1cncs1)N1CCC[C@H](c2nc(Oc3ccccc3)no2)C1
InChIInChI=1S/C18H18N4O4.C17H16N4O3S/c1-12-15(10-19-25-12)17(23)22-9-5-6-13(11-22)16-20-18(21-26-16)24-14-7-3-2-4-8-14;22-16(14-9-18-11-25-14)21-8-4-5-12(10-21)15-19-17(20-24-15)23-13-6-2-1-3-7-13/h2-4,7-8,10,13H,5-6,9,11H2,1H3;1-3,6-7,9,11-12H,4-5,8,10H2/t13-;12-/m00/s1
InChIKeyNISBQRHWCVGSAH-IMECTCCJSA-N
XLogP6.52
TPSA175.84 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500710.77
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze (5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 68934769
(5-methyl-1,2-oxazol-4-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 68925744
(3,5-difluorophenyl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;1H-imidazol-5-yl-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 159931430
[3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 68698649
[3-[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 135428867
[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 110120003
(2-methylphenyl)-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226141
[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 70749855
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 110258767
(6-methoxynaphthalen-2-yl)-[1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methanone
CID 24791502
(6-methoxynaphthalen-2-yl)-[(3R)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methanone
CID 26390778
[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 3226119

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The IUPAC name of (5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone (CID 159792245) is (5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone is Cc1oncc1C(=O)N1CCC[C@H](c2nc(Oc3ccccc3)no2)C1.O=C(c1cncs1)N1CCC[C@H](c2nc(Oc3ccccc3)no2)C1.
What is the InChIKey of (5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The InChIKey is NISBQRHWCVGSAH-IMECTCCJSA-N. The full InChI is InChI=1S/C18H18N4O4.C17H16N4O3S/c1-12-15(10-19-25-12)17(23)22-9-5-6-13(11-22)16-20-18(21-26-16)24-14-7-3-2-4-8-14;22-16(14-9-18-11-25-14)21-8-4-5-12(10-21)15-19-17(20-24-15)23-13-6-2-1-3-7-13/h2-4,7-8,10,13H,5-6,9,11H2,1H3;1-3,6-7,9,11-12H,4-5,8,10H2/t13-;12-/m00/s1.
What are the key properties of (5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?
(5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone has a molecular weight of 710.77 g/mol, XLogP of 6.52, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 159792245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).