3-[4-[2-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]-N-hydroxypropanamide

C22H26N4O5S2 — CID 25226544

IUPAC3-[4-[2-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]-N-hydroxypropanamide
SMILESCC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccc(OCCC(=O)NO)cc3)s2)o1
InChIInChI=1S/C22H26N4O5S2/c1-22(2,3)16-11-23-19(31-16)13-32-20-12-24-21(33-20)25-18(28)10-14-4-6-15(7-5-14)30-9-8-17(27)26-29/h4-7,11-12,29H,8-10,13H2,1-3H3,(H,26,27)(H,24,25,28)
InChIKeyNAIYFCSCSNKHBQ-UHFFFAOYSA-N
MW490.61 g/mol
LogP4.18
Rot. Bonds10

About 3-[4-[2-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]-N-hydroxypropanamide

3-[4-[2-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]-N-hydroxypropanamide (PubChem CID 25226544) has the molecular formula C22H26N4O5S2 and a molecular weight of 490.61 g/mol. Its IUPAC name is 3-[4-[2-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]-N-hydroxypropanamide.

Molecular Properties

Compound Name3-[4-[2-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]-N-hydroxypropanamide
PubChem CID25226544
Molecular FormulaC22H26N4O5S2
Molecular Weight490.61 g/mol
Exact Mass490.13
IUPAC Name3-[4-[2-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]-N-hydroxypropanamide
SMILESCC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccc(OCCC(=O)NO)cc3)s2)o1
InChIInChI=1S/C22H26N4O5S2/c1-22(2,3)16-11-23-19(31-16)13-32-20-12-24-21(33-20)25-18(28)10-14-4-6-15(7-5-14)30-9-8-17(27)26-29/h4-7,11-12,29H,8-10,13H2,1-3H3,(H,26,27)(H,24,25,28)
InChIKeyNAIYFCSCSNKHBQ-UHFFFAOYSA-N
XLogP4.18
TPSA126.58 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]-N-hydroxypropanamide?
The IUPAC name of 3-[4-[2-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]-N-hydroxypropanamide (CID 25226544) is 3-[4-[2-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]-N-hydroxypropanamide.
What is the SMILES notation for 3-[4-[2-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]-N-hydroxypropanamide?
The canonical SMILES for 3-[4-[2-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]-N-hydroxypropanamide is CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccc(OCCC(=O)NO)cc3)s2)o1.
What is the InChIKey of 3-[4-[2-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]-N-hydroxypropanamide?
The InChIKey is NAIYFCSCSNKHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5S2/c1-22(2,3)16-11-23-19(31-16)13-32-20-12-24-21(33-20)25-18(28)10-14-4-6-15(7-5-14)30-9-8-17(27)26-29/h4-7,11-12,29H,8-10,13H2,1-3H3,(H,26,27)(H,24,25,28).
What are the key properties of 3-[4-[2-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]-N-hydroxypropanamide?
3-[4-[2-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]-N-hydroxypropanamide has a molecular weight of 490.61 g/mol, XLogP of 4.18, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]-N-hydroxypropanamide is sourced from PubChem (CID 25226544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).