N-[5-[[4-[2-(4-butoxy-3,5-dichlorophenyl)propan-2-yl]phenoxy]methyl]-1,2-oxazol-3-yl]acetamide

C25H28Cl2N2O4 — CID 159732407

IUPACN-[5-[[4-[2-(4-butoxy-3,5-dichlorophenyl)propan-2-yl]phenoxy]methyl]-1,2-oxazol-3-yl]acetamide
SMILESCCCCOc1c(Cl)cc(C(C)(C)c2ccc(OCc3cc(NC(C)=O)no3)cc2)cc1Cl
InChIInChI=1S/C25H28Cl2N2O4/c1-5-6-11-31-24-21(26)12-18(13-22(24)27)25(3,4)17-7-9-19(10-8-17)32-15-20-14-23(29-33-20)28-16(2)30/h7-10,12-14H,5-6,11,15H2,1-4H3,(H,28,29,30)
InChIKeyLZELHRLTLSQDRD-UHFFFAOYSA-N
MW491.42 g/mol
LogP7.02
Rot. Bonds10

About N-[5-[[4-[2-(4-butoxy-3,5-dichlorophenyl)propan-2-yl]phenoxy]methyl]-1,2-oxazol-3-yl]acetamide

N-[5-[[4-[2-(4-butoxy-3,5-dichlorophenyl)propan-2-yl]phenoxy]methyl]-1,2-oxazol-3-yl]acetamide (PubChem CID 159732407) has the molecular formula C25H28Cl2N2O4 and a molecular weight of 491.42 g/mol. Its IUPAC name is N-[5-[[4-[2-(4-butoxy-3,5-dichlorophenyl)propan-2-yl]phenoxy]methyl]-1,2-oxazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-[2-(4-butoxy-3,5-dichlorophenyl)propan-2-yl]phenoxy]methyl]-1,2-oxazol-3-yl]acetamide
PubChem CID159732407
Molecular FormulaC25H28Cl2N2O4
Molecular Weight491.42 g/mol
Exact Mass490.14
IUPAC NameN-[5-[[4-[2-(4-butoxy-3,5-dichlorophenyl)propan-2-yl]phenoxy]methyl]-1,2-oxazol-3-yl]acetamide
SMILESCCCCOc1c(Cl)cc(C(C)(C)c2ccc(OCc3cc(NC(C)=O)no3)cc2)cc1Cl
InChIInChI=1S/C25H28Cl2N2O4/c1-5-6-11-31-24-21(26)12-18(13-22(24)27)25(3,4)17-7-9-19(10-8-17)32-15-20-14-23(29-33-20)28-16(2)30/h7-10,12-14H,5-6,11,15H2,1-4H3,(H,28,29,30)
InChIKeyLZELHRLTLSQDRD-UHFFFAOYSA-N
XLogP7.02
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.42
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenoxy]propan-2-one
CID 161088782
5-[[4-[2-[3,5-dichloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-4-methylsulfonyl-1,3-oxazole
CID 146484383
1-[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenoxy]-4-methylpentan-2-one
CID 158661519
1-[4-[2-(4-butoxy-3,5-dichlorophenyl)propan-2-yl]phenoxy]-1,1-difluoro-5-methylsulfonylpentan-2-one
CID 159447026
5-[[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-1H-imidazole
CID 146484352
methyl 4-[2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propan-2-yl]benzoate
CID 146484396
5-[[4-[2,5-bis[3,5-dichloro-4-(3-chloropropoxy)phenyl]-5-[4-[(4-methylsulfonyl-1,3-oxazol-5-yl)methoxy]phenyl]hexan-2-yl]phenoxy]methyl]-3-methoxy-1,2-oxazole
CID 155154726
5-[[4-[2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propan-2-yl]phenoxy]methyl]-2-methyl-4-methylsulfonyl-1,3-oxazole
CID 146520539
5-[[4-[2-(4-butyl-3,5-dichlorophenyl)propan-2-yl]phenoxy]methyl]-4-methylsulfonyl-1,3-oxazole
CID 158645249
3-[4-[2-[3,5-dichloro-4-(2-hydroxybutoxy)phenyl]propan-2-yl]phenoxy]-1,1,1-trifluoropropan-2-one
CID 153368272
3-[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenyl]-N-methyl-1,2-oxazol-5-amine;hydrochloride
CID 175148168
methyl 4-[4-[2-(4-butoxy-3-chloro-5-methylphenyl)propan-2-yl]phenoxy]-4,4-difluoro-3,3-dihydroxy-2-methoxybutanoate
CID 155154752

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-[2-(4-butoxy-3,5-dichlorophenyl)propan-2-yl]phenoxy]methyl]-1,2-oxazol-3-yl]acetamide?
The IUPAC name of N-[5-[[4-[2-(4-butoxy-3,5-dichlorophenyl)propan-2-yl]phenoxy]methyl]-1,2-oxazol-3-yl]acetamide (CID 159732407) is N-[5-[[4-[2-(4-butoxy-3,5-dichlorophenyl)propan-2-yl]phenoxy]methyl]-1,2-oxazol-3-yl]acetamide.
What is the SMILES notation for N-[5-[[4-[2-(4-butoxy-3,5-dichlorophenyl)propan-2-yl]phenoxy]methyl]-1,2-oxazol-3-yl]acetamide?
The canonical SMILES for N-[5-[[4-[2-(4-butoxy-3,5-dichlorophenyl)propan-2-yl]phenoxy]methyl]-1,2-oxazol-3-yl]acetamide is CCCCOc1c(Cl)cc(C(C)(C)c2ccc(OCc3cc(NC(C)=O)no3)cc2)cc1Cl.
What is the InChIKey of N-[5-[[4-[2-(4-butoxy-3,5-dichlorophenyl)propan-2-yl]phenoxy]methyl]-1,2-oxazol-3-yl]acetamide?
The InChIKey is LZELHRLTLSQDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl2N2O4/c1-5-6-11-31-24-21(26)12-18(13-22(24)27)25(3,4)17-7-9-19(10-8-17)32-15-20-14-23(29-33-20)28-16(2)30/h7-10,12-14H,5-6,11,15H2,1-4H3,(H,28,29,30).
What are the key properties of N-[5-[[4-[2-(4-butoxy-3,5-dichlorophenyl)propan-2-yl]phenoxy]methyl]-1,2-oxazol-3-yl]acetamide?
N-[5-[[4-[2-(4-butoxy-3,5-dichlorophenyl)propan-2-yl]phenoxy]methyl]-1,2-oxazol-3-yl]acetamide has a molecular weight of 491.42 g/mol, XLogP of 7.02, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-[2-(4-butoxy-3,5-dichlorophenyl)propan-2-yl]phenoxy]methyl]-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 159732407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).