N-benzyl-5-(4-methoxyphenyl)-1,2-oxazol-3-amine

C17H16N2O2 — CID 46173648

IUPACN-benzyl-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(-c2cc(NCc3ccccc3)no2)cc1
InChIInChI=1S/C17H16N2O2/c1-20-15-9-7-14(8-10-15)16-11-17(19-21-16)18-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,18,19)
InChIKeyCWWWQHHSLDJFLH-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.96
Rot. Bonds5

About N-benzyl-5-(4-methoxyphenyl)-1,2-oxazol-3-amine

N-benzyl-5-(4-methoxyphenyl)-1,2-oxazol-3-amine (PubChem CID 46173648) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-benzyl-5-(4-methoxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-benzyl-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
PubChem CID46173648
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-benzyl-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(-c2cc(NCc3ccccc3)no2)cc1
InChIInChI=1S/C17H16N2O2/c1-20-15-9-7-14(8-10-15)16-11-17(19-21-16)18-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,18,19)
InChIKeyCWWWQHHSLDJFLH-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

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Related Compounds

N-benzyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 117079007
5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine
CID 45484940
3,5-bis(4-methoxyphenyl)-1,2-oxazole
CID 10956920
1-[(3-methoxyphenyl)methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812811
N-benzyl-5-(4-methoxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 6621305
N-benzyl-6-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 102448175
3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole
CID 67512216
N-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine
CID 46342000
N-benzyl-2-methoxy-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 46141678
N-[(4-methoxyphenyl)methyl]-5-phenyl-1,3-oxazol-2-amine
CID 25175386
N-benzyl-4-methoxypyridin-2-amine
CID 82674350
3-benzyl-1-(furan-2-ylmethyl)-1-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea
CID 46111699

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(4-methoxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of N-benzyl-5-(4-methoxyphenyl)-1,2-oxazol-3-amine (CID 46173648) is N-benzyl-5-(4-methoxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for N-benzyl-5-(4-methoxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for N-benzyl-5-(4-methoxyphenyl)-1,2-oxazol-3-amine is COc1ccc(-c2cc(NCc3ccccc3)no2)cc1.
What is the InChIKey of N-benzyl-5-(4-methoxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is CWWWQHHSLDJFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-20-15-9-7-14(8-10-15)16-11-17(19-21-16)18-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,18,19).
What are the key properties of N-benzyl-5-(4-methoxyphenyl)-1,2-oxazol-3-amine?
N-benzyl-5-(4-methoxyphenyl)-1,2-oxazol-3-amine 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-benzyl-5-(4-methoxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 46173648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).