N-methyl-4-[(5-phenyl-1,3-oxazol-2-yl)methoxy]aniline

C17H16N2O2 — CID 61027840

IUPACN-methyl-4-[(5-phenyl-1,3-oxazol-2-yl)methoxy]aniline
SMILESCNc1ccc(OCc2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C17H16N2O2/c1-18-14-7-9-15(10-8-14)20-12-17-19-11-16(21-17)13-5-3-2-4-6-13/h2-11,18H,12H2,1H3
InChIKeyZELUOJYLARZZMF-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.96
Rot. Bonds5

About N-methyl-4-[(5-phenyl-1,3-oxazol-2-yl)methoxy]aniline

N-methyl-4-[(5-phenyl-1,3-oxazol-2-yl)methoxy]aniline (PubChem CID 61027840) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-methyl-4-[(5-phenyl-1,3-oxazol-2-yl)methoxy]aniline.

Molecular Properties

Compound NameN-methyl-4-[(5-phenyl-1,3-oxazol-2-yl)methoxy]aniline
PubChem CID61027840
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-methyl-4-[(5-phenyl-1,3-oxazol-2-yl)methoxy]aniline
SMILESCNc1ccc(OCc2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C17H16N2O2/c1-18-14-7-9-15(10-8-14)20-12-17-19-11-16(21-17)13-5-3-2-4-6-13/h2-11,18H,12H2,1H3
InChIKeyZELUOJYLARZZMF-UHFFFAOYSA-N
XLogP3.96
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxyphenoxy)methyl]-5-phenyl-1,3-oxazole
CID 24961512
N-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methoxy]phenyl]acetamide
CID 9353806
methyl N-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methoxy]phenyl]carbamate
CID 78903690
N-methyl-4-phenylmethoxyaniline;hydrochloride
CID 75481675
2-(naphthalen-1-yloxymethyl)-5-phenyl-1,3-oxazole
CID 9014713
4-methoxy-2-[(5-phenyl-1,3-oxazol-2-yl)methoxy]benzamide
CID 47004427
2-benzyl-5-(4-methylphenyl)-1,3-oxazole
CID 135058309
4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzaldehyde
CID 29420744
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777
(5-phenyl-1,3-oxazol-2-yl)methyl 2,5-dimethylfuran-3-carboxylate
CID 8861226
4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]-N-methylaniline
CID 61026556
4-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 38936760

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(5-phenyl-1,3-oxazol-2-yl)methoxy]aniline?
The IUPAC name of N-methyl-4-[(5-phenyl-1,3-oxazol-2-yl)methoxy]aniline (CID 61027840) is N-methyl-4-[(5-phenyl-1,3-oxazol-2-yl)methoxy]aniline.
What is the SMILES notation for N-methyl-4-[(5-phenyl-1,3-oxazol-2-yl)methoxy]aniline?
The canonical SMILES for N-methyl-4-[(5-phenyl-1,3-oxazol-2-yl)methoxy]aniline is CNc1ccc(OCc2ncc(-c3ccccc3)o2)cc1.
What is the InChIKey of N-methyl-4-[(5-phenyl-1,3-oxazol-2-yl)methoxy]aniline?
The InChIKey is ZELUOJYLARZZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-18-14-7-9-15(10-8-14)20-12-17-19-11-16(21-17)13-5-3-2-4-6-13/h2-11,18H,12H2,1H3.
What are the key properties of N-methyl-4-[(5-phenyl-1,3-oxazol-2-yl)methoxy]aniline?
N-methyl-4-[(5-phenyl-1,3-oxazol-2-yl)methoxy]aniline has a molecular weight of 280.33 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(5-phenyl-1,3-oxazol-2-yl)methoxy]aniline is sourced from PubChem (CID 61027840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).