N-[[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]hydroxylamine

C20H22N2O3 — CID 10640754

IUPACN-[[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]hydroxylamine
SMILESCc1ccc(-c2nc(CCOc3ccc(CNO)cc3)c(C)o2)cc1
InChIInChI=1S/C20H22N2O3/c1-14-3-7-17(8-4-14)20-22-19(15(2)25-20)11-12-24-18-9-5-16(6-10-18)13-21-23/h3-10,21,23H,11-13H2,1-2H3
InChIKeyRLHXNBIEGSOVOZ-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.06
Rot. Bonds7

About N-[[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]hydroxylamine

N-[[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]hydroxylamine (PubChem CID 10640754) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]hydroxylamine
PubChem CID10640754
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]hydroxylamine
SMILESCc1ccc(-c2nc(CCOc3ccc(CNO)cc3)c(C)o2)cc1
InChIInChI=1S/C20H22N2O3/c1-14-3-7-17(8-4-14)20-22-19(15(2)25-20)11-12-24-18-9-5-16(6-10-18)13-21-23/h3-10,21,23H,11-13H2,1-2H3
InChIKeyRLHXNBIEGSOVOZ-UHFFFAOYSA-N
XLogP4.06
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-1-phenylmethanamine
CID 59964502
ethane;[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methanamine
CID 91034363
4-[2-[4-(chloromethyl)phenoxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 11809594
ethyl 2-[(4-fluorophenyl)methylamino]-3-[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]propanoate
CID 22337556
2-[(4-fluorophenyl)methylamino]-3-[4-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]propanoic acid
CID 22337545
2-methyl-2-[4-[2-[5-methyl-2-[4-(4-methylphenyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenoxy]propanoic acid
CID 59900655
4-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile
CID 54399671
4-[2-[4-(hydroperoxymethyl)-3-methylphenoxy]ethyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 59964499
2-[2-(4-butoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl 4-methylbenzenesulfonate
CID 58979246
methyl 2-bromo-3-[4-[2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]propanoate
CID 88600430
methyl 2-methyl-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
CID 59948196
dimethyl 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]propanedioate
CID 6918417

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]hydroxylamine?
The IUPAC name of N-[[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]hydroxylamine (CID 10640754) is N-[[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]hydroxylamine is Cc1ccc(-c2nc(CCOc3ccc(CNO)cc3)c(C)o2)cc1.
What is the InChIKey of N-[[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]hydroxylamine?
The InChIKey is RLHXNBIEGSOVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-3-7-17(8-4-14)20-22-19(15(2)25-20)11-12-24-18-9-5-16(6-10-18)13-21-23/h3-10,21,23H,11-13H2,1-2H3.
What are the key properties of N-[[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]hydroxylamine?
N-[[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]hydroxylamine has a molecular weight of 338.41 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]hydroxylamine is sourced from PubChem (CID 10640754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).