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

C17H16N2O2 — CID 173348993

IUPACN-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]aniline
SMILESCOc1ccc(-c2cnco2)cc1CNc1ccccc1
InChIInChI=1S/C17H16N2O2/c1-20-16-8-7-13(17-11-18-12-21-17)9-14(16)10-19-15-5-3-2-4-6-15/h2-9,11-12,19H,10H2,1H3
InChIKeyYOFVYNCOOIPIDD-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.96
Rot. Bonds5

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

N-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]aniline (PubChem CID 173348993) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]aniline.

Molecular Properties

Compound NameN-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]aniline
PubChem CID173348993
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]aniline
SMILESCOc1ccc(-c2cnco2)cc1CNc1ccccc1
InChIInChI=1S/C17H16N2O2/c1-20-16-8-7-13(17-11-18-12-21-17)9-14(16)10-19-15-5-3-2-4-6-15/h2-9,11-12,19H,10H2,1H3
InChIKeyYOFVYNCOOIPIDD-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

(2S,3S)-N-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 54104125
4-(1,3-oxazol-5-yl)-N-[(2-phenylmethoxyphenyl)methyl]aniline
CID 121255770
2-methoxy-N-[(5-methylthiophen-2-yl)methyl]-5-(1,3-oxazol-5-yl)aniline
CID 73353928
methyl 2-methoxy-5-(1,3-oxazol-5-yl)benzoate
CID 118720203
3-[[3-(1,3-oxazol-5-yl)anilino]methyl]benzene-1,2-diol
CID 61319717
2-(2-chlorophenyl)-N-[2-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 90177371
N-[(4-chloro-2-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 104854359
N-[(5-chloro-2-methoxyphenyl)methyl]pyridin-3-amine
CID 54905217
N-[(5-ethylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 62346531
N-[(2,6-dichlorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 60942944
N-[(3-methylimidazol-4-yl)methyl]-3-(1,3-oxazol-5-yl)aniline
CID 66117073
N-[(2,3,4-trimethoxyphenyl)methyl]aniline
CID 3351558

Frequently Asked Questions

What is the IUPAC name of N-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]aniline?
The IUPAC name of N-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]aniline (CID 173348993) is N-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]aniline.
What is the SMILES notation for N-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]aniline?
The canonical SMILES for N-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]aniline is COc1ccc(-c2cnco2)cc1CNc1ccccc1.
What is the InChIKey of N-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]aniline?
The InChIKey is YOFVYNCOOIPIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-20-16-8-7-13(17-11-18-12-21-17)9-14(16)10-19-15-5-3-2-4-6-15/h2-9,11-12,19H,10H2,1H3.
What are the key properties of N-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]aniline?
N-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]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-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]aniline is sourced from PubChem (CID 173348993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).