N-[(4-methoxyphenyl)methyl]-5-phenyl-1,3-oxazol-2-amine

C17H16N2O2 — CID 25175386

IUPACN-[(4-methoxyphenyl)methyl]-5-phenyl-1,3-oxazol-2-amine
SMILESCOc1ccc(CNc2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C17H16N2O2/c1-20-15-9-7-13(8-10-15)11-18-17-19-12-16(21-17)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,18,19)
InChIKeyWCAWHTOTCQHSBF-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.96
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-5-phenyl-1,3-oxazol-2-amine

N-[(4-methoxyphenyl)methyl]-5-phenyl-1,3-oxazol-2-amine (PubChem CID 25175386) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-phenyl-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5-phenyl-1,3-oxazol-2-amine
PubChem CID25175386
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-phenyl-1,3-oxazol-2-amine
SMILESCOc1ccc(CNc2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C17H16N2O2/c1-20-15-9-7-13(8-10-15)11-18-17-19-12-16(21-17)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,18,19)
InChIKeyWCAWHTOTCQHSBF-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-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine
CID 46342000
N-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-2-carboxamide
CID 16949912
2-[(4-methoxyphenoxy)methyl]-5-phenyl-1,3-oxazole
CID 24961512
2-methoxy-5-phenyl-1,3-oxazole
CID 69332700
N-benzyl-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 46173648
N-tert-butyl-5-phenyl-1,3-oxazol-2-amine
CID 12707556
N-benzyl-5-(3-methyl-2H-indazol-5-yl)-1,3-oxazol-2-amine
CID 25175383
1-(6-methoxynaphthalen-2-yl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
CID 18088834
5-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 115620538
N-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
CID 54799583
5-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole
CID 102463231
6-N-[(4-methoxyphenyl)methyl]-2-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112881287

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-5-phenyl-1,3-oxazol-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-phenyl-1,3-oxazol-2-amine (CID 25175386) is N-[(4-methoxyphenyl)methyl]-5-phenyl-1,3-oxazol-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5-phenyl-1,3-oxazol-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-phenyl-1,3-oxazol-2-amine is COc1ccc(CNc2ncc(-c3ccccc3)o2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5-phenyl-1,3-oxazol-2-amine?
The InChIKey is WCAWHTOTCQHSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-20-15-9-7-13(8-10-15)11-18-17-19-12-16(21-17)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,18,19).
What are the key properties of N-[(4-methoxyphenyl)methyl]-5-phenyl-1,3-oxazol-2-amine?
N-[(4-methoxyphenyl)methyl]-5-phenyl-1,3-oxazol-2-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-[(4-methoxyphenyl)methyl]-5-phenyl-1,3-oxazol-2-amine is sourced from PubChem (CID 25175386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).