N-[(Z)-3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]but-2-enyl]hydroxylamine

C21H22N2O3 — CID 10569860

IUPACN-[(Z)-3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]but-2-enyl]hydroxylamine
SMILESC/C(=C/CNO)c1cccc(OCc2nc(-c3ccccc3)oc2C)c1
InChIInChI=1S/C21H22N2O3/c1-15(11-12-22-24)18-9-6-10-19(13-18)25-14-20-16(2)26-21(23-20)17-7-4-3-5-8-17/h3-11,13,22,24H,12,14H2,1-2H3/b15-11-
InChIKeyBEMAFGOPEAKMBT-PTNGSMBKSA-N
MW350.42 g/mol
LogP4.61
Rot. Bonds7

About N-[(Z)-3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]but-2-enyl]hydroxylamine

N-[(Z)-3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]but-2-enyl]hydroxylamine (PubChem CID 10569860) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(Z)-3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]but-2-enyl]hydroxylamine.

Molecular Properties

Compound NameN-[(Z)-3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]but-2-enyl]hydroxylamine
PubChem CID10569860
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[(Z)-3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]but-2-enyl]hydroxylamine
SMILESC/C(=C/CNO)c1cccc(OCc2nc(-c3ccccc3)oc2C)c1
InChIInChI=1S/C21H22N2O3/c1-15(11-12-22-24)18-9-6-10-19(13-18)25-14-20-16(2)26-21(23-20)17-7-4-3-5-8-17/h3-11,13,22,24H,12,14H2,1-2H3/b15-11-
InChIKeyBEMAFGOPEAKMBT-PTNGSMBKSA-N
XLogP4.61
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.61
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-[(2E,4E)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]hydroxylamine
CID 10667246
tert-butyl [[(E)-3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate
CID 10530692
[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanol
CID 11140977
2-[(2E,4Z)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]-1,2,4-oxadiazolidine-3,5-dione
CID 10527307
N-[(E)-3-[2-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-enyl]hydroxylamine
CID 10645675
1-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethanone
CID 10595616
5-[3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]but-2-enyl]-1,3-oxazolidine-2,4-dione
CID 67620458
N-[[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-yl]methyl]hydroxylamine
CID 10807777
(Z)-3-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]pent-2-en-1-ol
CID 10693273
ethyl (E)-3-[3-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-enoate
CID 10837705
4-[5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoic acid
CID 53213294
N-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]hydroxylamine
CID 10784998

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]but-2-enyl]hydroxylamine?
The IUPAC name of N-[(Z)-3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]but-2-enyl]hydroxylamine (CID 10569860) is N-[(Z)-3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]but-2-enyl]hydroxylamine.
What is the SMILES notation for N-[(Z)-3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]but-2-enyl]hydroxylamine?
The canonical SMILES for N-[(Z)-3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]but-2-enyl]hydroxylamine is C/C(=C/CNO)c1cccc(OCc2nc(-c3ccccc3)oc2C)c1.
What is the InChIKey of N-[(Z)-3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]but-2-enyl]hydroxylamine?
The InChIKey is BEMAFGOPEAKMBT-PTNGSMBKSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-15(11-12-22-24)18-9-6-10-19(13-18)25-14-20-16(2)26-21(23-20)17-7-4-3-5-8-17/h3-11,13,22,24H,12,14H2,1-2H3/b15-11-.
What are the key properties of N-[(Z)-3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]but-2-enyl]hydroxylamine?
N-[(Z)-3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]but-2-enyl]hydroxylamine has a molecular weight of 350.42 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]but-2-enyl]hydroxylamine is sourced from PubChem (CID 10569860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).