N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-methoxy-N-methylaniline

C18H17FN2O2 — CID 56662391

IUPACN-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-methoxy-N-methylaniline
SMILESCOc1ccc(N(C)Cc2coc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H17FN2O2/c1-21(16-7-9-17(22-2)10-8-16)11-15-12-23-18(20-15)13-3-5-14(19)6-4-13/h3-10,12H,11H2,1-2H3
InChIKeyCRTLZUMPVDIIPC-UHFFFAOYSA-N
MW312.34 g/mol
LogP4.13
Rot. Bonds5

About N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-methoxy-N-methylaniline

N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-methoxy-N-methylaniline (PubChem CID 56662391) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-methoxy-N-methylaniline
PubChem CID56662391
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC NameN-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-methoxy-N-methylaniline
SMILESCOc1ccc(N(C)Cc2coc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H17FN2O2/c1-21(16-7-9-17(22-2)10-8-16)11-15-12-23-18(20-15)13-3-5-14(19)6-4-13/h3-10,12H,11H2,1-2H3
InChIKeyCRTLZUMPVDIIPC-UHFFFAOYSA-N
XLogP4.13
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 54.13
H-Bond Donors ≤ 50
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

N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N,4-dimethylaniline
CID 56665812
4-[(4-fluorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole
CID 55537742
N-ethyl-3-fluoro-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline
CID 55869520
N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine
CID 56664992
1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 111336384
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-methoxy-N-methylaniline
CID 56672823
1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
CID 56668338
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylazetidin-3-amine
CID 66188313
2-[[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol
CID 109398384
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-(2-methoxyethyl)amino]ethanol
CID 111103117
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 62021325
1-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 60726482

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-methoxy-N-methylaniline?
The IUPAC name of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-methoxy-N-methylaniline (CID 56662391) is N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-methoxy-N-methylaniline.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-methoxy-N-methylaniline?
The canonical SMILES for N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-methoxy-N-methylaniline is COc1ccc(N(C)Cc2coc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-methoxy-N-methylaniline?
The InChIKey is CRTLZUMPVDIIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-21(16-7-9-17(22-2)10-8-16)11-15-12-23-18(20-15)13-3-5-14(19)6-4-13/h3-10,12H,11H2,1-2H3.
What are the key properties of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-methoxy-N-methylaniline?
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-methoxy-N-methylaniline has a molecular weight of 312.34 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-methoxy-N-methylaniline is sourced from PubChem (CID 56662391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).