N-[(3,4-difluorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline

C16H12F2N2O — CID 60943832

IUPACN-[(3,4-difluorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
SMILESFc1ccc(CNc2ccc(-c3cnco3)cc2)cc1F
InChIInChI=1S/C16H12F2N2O/c17-14-6-1-11(7-15(14)18)8-20-13-4-2-12(3-5-13)16-9-19-10-21-16/h1-7,9-10,20H,8H2
InChIKeyMAZCEVUIDGIAFR-UHFFFAOYSA-N
MW286.28 g/mol
LogP4.23
Rot. Bonds4

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

N-[(3,4-difluorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline (PubChem CID 60943832) has the molecular formula C16H12F2N2O and a molecular weight of 286.28 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
PubChem CID60943832
Molecular FormulaC16H12F2N2O
Molecular Weight286.28 g/mol
Exact Mass286.09
IUPAC NameN-[(3,4-difluorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
SMILESFc1ccc(CNc2ccc(-c3cnco3)cc2)cc1F
InChIInChI=1S/C16H12F2N2O/c17-14-6-1-11(7-15(14)18)8-20-13-4-2-12(3-5-13)16-9-19-10-21-16/h1-7,9-10,20H,8H2
InChIKeyMAZCEVUIDGIAFR-UHFFFAOYSA-N
XLogP4.23
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 63646400
2-bromo-4-[[4-(1,3-oxazol-5-yl)anilino]methyl]phenol
CID 63045032
N-[(3,4-difluorophenyl)methyl]-4-(1H-imidazol-5-yl)aniline
CID 43722402
N-[(4-chloro-2-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 104854359
5-N-[(3,4-difluorophenyl)methyl]pyridine-2,5-diamine
CID 54965666
N-[(2,6-dichlorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 60942944
N-[(5-ethylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 62346531
4-(1,3-oxazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline
CID 55060081
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-4-(1,3-oxazol-5-yl)aniline
CID 60943071
3-bromo-N-[(3,4-difluorophenyl)methyl]-4-fluoroaniline
CID 115650344
5-[4-(4-chlorophenyl)phenyl]-1,3-oxazole
CID 21408358
4-(1,3-oxazol-5-yl)-N-[(2-phenylmethoxyphenyl)methyl]aniline
CID 121255770

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline (CID 60943832) is N-[(3,4-difluorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline is Fc1ccc(CNc2ccc(-c3cnco3)cc2)cc1F.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline?
The InChIKey is MAZCEVUIDGIAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O/c17-14-6-1-11(7-15(14)18)8-20-13-4-2-12(3-5-13)16-9-19-10-21-16/h1-7,9-10,20H,8H2.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline?
N-[(3,4-difluorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline has a molecular weight of 286.28 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 60943832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).