N-(3-tert-butyl-1,2-oxazol-5-yl)-2-hydroxyimino-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide

C25H30N4O5 — CID 173045498

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-2-hydroxyimino-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide
SMILESCC(C)(C)c1cc(NC(=O)C(=NO)c2ccc(OCCN3CCOCC3)c3ccccc23)on1
InChIInChI=1S/C25H30N4O5/c1-25(2,3)21-16-22(34-28-21)26-24(30)23(27-31)19-8-9-20(18-7-5-4-6-17(18)19)33-15-12-29-10-13-32-14-11-29/h4-9,16,31H,10-15H2,1-3H3,(H,26,30)
InChIKeyLOZJAKOSZXAODA-UHFFFAOYSA-N
MW466.54 g/mol
LogP3.65
Rot. Bonds7

About N-(3-tert-butyl-1,2-oxazol-5-yl)-2-hydroxyimino-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-hydroxyimino-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide (PubChem CID 173045498) has the molecular formula C25H30N4O5 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-hydroxyimino-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-hydroxyimino-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide
PubChem CID173045498
Molecular FormulaC25H30N4O5
Molecular Weight466.54 g/mol
Exact Mass466.22
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-hydroxyimino-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide
SMILESCC(C)(C)c1cc(NC(=O)C(=NO)c2ccc(OCCN3CCOCC3)c3ccccc23)on1
InChIInChI=1S/C25H30N4O5/c1-25(2,3)21-16-22(34-28-21)26-24(30)23(27-31)19-8-9-20(18-7-5-4-6-17(18)19)33-15-12-29-10-13-32-14-11-29/h4-9,16,31H,10-15H2,1-3H3,(H,26,30)
InChIKeyLOZJAKOSZXAODA-UHFFFAOYSA-N
XLogP3.65
TPSA109.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-hydroxyimino-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide
CID 87264903
N-[3-tert-butyl-4-methyl-1-(4-methylphenyl)pyrazol-5-yl]-2-hydroxyimino-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide
CID 173045490
2-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2-hydroxyimino-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide
CID 173045478
N-(2-tert-butylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 58262613
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide
CID 67091339
N-(1-benzylsulfonyl-3-tert-butylpyrazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 67609567
N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 67091271
ethyl N-[[2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyanilino]-1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoethylidene]amino]carbamate
CID 90794440
2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 44588777
1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione
CID 58262575
N-[3-tert-butyl-1-(4-fluoro-3-methylphenyl)pyrazol-5-yl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 58262626
ethyl N-[(E)-[2-[5-tert-butyl-3-(cyclopropylcarbamoyl)-2-methoxyanilino]-1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoethylidene]amino]carbamate
CID 87264921

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-hydroxyimino-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-hydroxyimino-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide (CID 173045498) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-hydroxyimino-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-hydroxyimino-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-hydroxyimino-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide is CC(C)(C)c1cc(NC(=O)C(=NO)c2ccc(OCCN3CCOCC3)c3ccccc23)on1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-hydroxyimino-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide?
The InChIKey is LOZJAKOSZXAODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5/c1-25(2,3)21-16-22(34-28-21)26-24(30)23(27-31)19-8-9-20(18-7-5-4-6-17(18)19)33-15-12-29-10-13-32-14-11-29/h4-9,16,31H,10-15H2,1-3H3,(H,26,30).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-hydroxyimino-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-hydroxyimino-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide has a molecular weight of 466.54 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-hydroxyimino-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide is sourced from PubChem (CID 173045498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).