2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide

C21H25N5O3 — CID 98065275

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCC1CCC(c2nnc(-c3ccccn3)o2)CC1
InChIInChI=1S/C21H25N5O3/c1-13-17(14(2)29-26-13)11-19(27)23-12-15-6-8-16(9-7-15)20-24-25-21(28-20)18-5-3-4-10-22-18/h3-5,10,15-16H,6-9,11-12H2,1-2H3,(H,23,27)
InChIKeyBIKXHWOPBCKQHD-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.37
Rot. Bonds6

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide (PubChem CID 98065275) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
PubChem CID98065275
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCC1CCC(c2nnc(-c3ccccn3)o2)CC1
InChIInChI=1S/C21H25N5O3/c1-13-17(14(2)29-26-13)11-19(27)23-12-15-6-8-16(9-7-15)20-24-25-21(28-20)18-5-3-4-10-22-18/h3-5,10,15-16H,6-9,11-12H2,1-2H3,(H,23,27)
InChIKeyBIKXHWOPBCKQHD-UHFFFAOYSA-N
XLogP3.37
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-fluorophenyl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
CID 98065267
4,5-dimethyl-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]thiophene-3-carboxamide
CID 98065276
N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 98065279
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 131945591
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]acetamide
CID 125163939
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-hydroxycyclohexyl)methyl]acetamide
CID 64929090
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 31156282
1,2-dimethyl-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]indole-3-carboxamide
CID 98065349
2-methoxy-N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
CID 98065189
4-methyl-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]benzamide
CID 98065364
2-(4-tert-butylphenoxy)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
CID 98065363
(5-propyl-1,2-oxazol-3-yl)-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92590317

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide (CID 98065275) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide is Cc1noc(C)c1CC(=O)NCC1CCC(c2nnc(-c3ccccn3)o2)CC1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide?
The InChIKey is BIKXHWOPBCKQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-13-17(14(2)29-26-13)11-19(27)23-12-15-6-8-16(9-7-15)20-24-25-21(28-20)18-5-3-4-10-22-18/h3-5,10,15-16H,6-9,11-12H2,1-2H3,(H,23,27).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide has a molecular weight of 395.46 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide is sourced from PubChem (CID 98065275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).