N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(2-pyridin-2-ylethoxy)phenyl]acetamide

C22H25N3O3 — CID 59420631

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(2-pyridin-2-ylethoxy)phenyl]acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2ccc(OCCc3ccccn3)cc2)no1
InChIInChI=1S/C22H25N3O3/c1-22(2,3)19-15-20(25-28-19)24-21(26)14-16-7-9-18(10-8-16)27-13-11-17-6-4-5-12-23-17/h4-10,12,15H,11,13-14H2,1-3H3,(H,24,25,26)
InChIKeyHIXVAQCZVRETSC-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.17
Rot. Bonds7

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(2-pyridin-2-ylethoxy)phenyl]acetamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(2-pyridin-2-ylethoxy)phenyl]acetamide (PubChem CID 59420631) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(2-pyridin-2-ylethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(2-pyridin-2-ylethoxy)phenyl]acetamide
PubChem CID59420631
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(2-pyridin-2-ylethoxy)phenyl]acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2ccc(OCCc3ccccn3)cc2)no1
InChIInChI=1S/C22H25N3O3/c1-22(2,3)19-15-20(25-28-19)24-21(26)14-16-7-9-18(10-8-16)27-13-11-17-6-4-5-12-23-17/h4-10,12,15H,11,13-14H2,1-3H3,(H,24,25,26)
InChIKeyHIXVAQCZVRETSC-UHFFFAOYSA-N
XLogP4.17
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-ethyl-1,2-oxazol-3-yl)-2-[4-(2-pyridin-2-ylethoxy)phenyl]acetamide
CID 143052894
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-(4-phosphanylphenyl)ethoxy]phenyl]urea
CID 143052329
2-(4-ethoxyphenyl)-N-pyridin-2-ylacetamide
CID 17458735
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2-methoxyphenyl)acetamide
CID 17087461
4-(aminomethyl)-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]pyridine-2-carboxamide;hydrochloride
CID 54760815
4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(4-methylphenyl)benzamide
CID 59420454
4-(4-tert-butylphenoxy)-N-(2-pyridin-2-ylethyl)butanamide
CID 78784602
5-tert-butyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 167799653
4-(2-pyridin-2-ylethoxy)phenol
CID 60892821
3-bromo-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]benzamide
CID 59420609
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]cyclohexanecarboxamide
CID 59420472
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(4-methoxyphenyl)thiophene-2-carboxamide
CID 59420709

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(2-pyridin-2-ylethoxy)phenyl]acetamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(2-pyridin-2-ylethoxy)phenyl]acetamide (CID 59420631) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(2-pyridin-2-ylethoxy)phenyl]acetamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(2-pyridin-2-ylethoxy)phenyl]acetamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(2-pyridin-2-ylethoxy)phenyl]acetamide is CC(C)(C)c1cc(NC(=O)Cc2ccc(OCCc3ccccn3)cc2)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(2-pyridin-2-ylethoxy)phenyl]acetamide?
The InChIKey is HIXVAQCZVRETSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-22(2,3)19-15-20(25-28-19)24-21(26)14-16-7-9-18(10-8-16)27-13-11-17-6-4-5-12-23-17/h4-10,12,15H,11,13-14H2,1-3H3,(H,24,25,26).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(2-pyridin-2-ylethoxy)phenyl]acetamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(2-pyridin-2-ylethoxy)phenyl]acetamide has a molecular weight of 379.46 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(2-pyridin-2-ylethoxy)phenyl]acetamide is sourced from PubChem (CID 59420631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).