4-[[5-[[5-(4-tert-butylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid

C25H29N5O5 — CID 58230961

IUPAC4-[[5-[[5-(4-tert-butylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)c1ccc(Nc2nnc(C(=O)Nc3ccc(OC4CCC(C(=O)O)CC4)nc3)o2)cc1
InChIInChI=1S/C25H29N5O5/c1-25(2,3)16-6-8-17(9-7-16)28-24-30-29-22(35-24)21(31)27-18-10-13-20(26-14-18)34-19-11-4-15(5-12-19)23(32)33/h6-10,13-15,19H,4-5,11-12H2,1-3H3,(H,27,31)(H,28,30)(H,32,33)
InChIKeyLNGXBDOIHZMARF-UHFFFAOYSA-N
MW479.54 g/mol
LogP4.78
Rot. Bonds7

About 4-[[5-[[5-(4-tert-butylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid

4-[[5-[[5-(4-tert-butylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid (PubChem CID 58230961) has the molecular formula C25H29N5O5 and a molecular weight of 479.54 g/mol. Its IUPAC name is 4-[[5-[[5-(4-tert-butylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[5-[[5-(4-tert-butylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
PubChem CID58230961
Molecular FormulaC25H29N5O5
Molecular Weight479.54 g/mol
Exact Mass479.22
IUPAC Name4-[[5-[[5-(4-tert-butylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)c1ccc(Nc2nnc(C(=O)Nc3ccc(OC4CCC(C(=O)O)CC4)nc3)o2)cc1
InChIInChI=1S/C25H29N5O5/c1-25(2,3)16-6-8-17(9-7-16)28-24-30-29-22(35-24)21(31)27-18-10-13-20(26-14-18)34-19-11-4-15(5-12-19)23(32)33/h6-10,13-15,19H,4-5,11-12H2,1-3H3,(H,27,31)(H,28,30)(H,32,33)
InChIKeyLNGXBDOIHZMARF-UHFFFAOYSA-N
XLogP4.78
TPSA139.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[[5-(4-tert-butylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[5-[[5-(4-tert-butylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid (CID 58230961) is 4-[[5-[[5-(4-tert-butylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[5-[[5-(4-tert-butylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[5-[[5-(4-tert-butylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid is CC(C)(C)c1ccc(Nc2nnc(C(=O)Nc3ccc(OC4CCC(C(=O)O)CC4)nc3)o2)cc1.
What is the InChIKey of 4-[[5-[[5-(4-tert-butylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid?
The InChIKey is LNGXBDOIHZMARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O5/c1-25(2,3)16-6-8-17(9-7-16)28-24-30-29-22(35-24)21(31)27-18-10-13-20(26-14-18)34-19-11-4-15(5-12-19)23(32)33/h6-10,13-15,19H,4-5,11-12H2,1-3H3,(H,27,31)(H,28,30)(H,32,33).
What are the key properties of 4-[[5-[[5-(4-tert-butylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid?
4-[[5-[[5-(4-tert-butylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid has a molecular weight of 479.54 g/mol, XLogP of 4.78, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[[5-(4-tert-butylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 58230961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).