N-[(2,6-dichlorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline

C16H12Cl2N2O — CID 60942944

IUPACN-[(2,6-dichlorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
SMILESClc1cccc(Cl)c1CNc1ccc(-c2cnco2)cc1
InChIInChI=1S/C16H12Cl2N2O/c17-14-2-1-3-15(18)13(14)8-20-12-6-4-11(5-7-12)16-9-19-10-21-16/h1-7,9-10,20H,8H2
InChIKeyPIQLBVKLDZGZFV-UHFFFAOYSA-N
MW319.19 g/mol
LogP5.26
Rot. Bonds4

About N-[(2,6-dichlorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline

N-[(2,6-dichlorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline (PubChem CID 60942944) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
PubChem CID60942944
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
SMILESClc1cccc(Cl)c1CNc1ccc(-c2cnco2)cc1
InChIInChI=1S/C16H12Cl2N2O/c17-14-2-1-3-15(18)13(14)8-20-12-6-4-11(5-7-12)16-9-19-10-21-16/h1-7,9-10,20H,8H2
InChIKeyPIQLBVKLDZGZFV-UHFFFAOYSA-N
XLogP5.26
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.19
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-oxazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline
CID 55060081
N-[(4-chloro-2-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 104854359
N-[(5-ethylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 62346531
N-[(3,4-difluorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 60943832
N-[(1-methyltriazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 55113462
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-4-(1,3-oxazol-5-yl)aniline
CID 60943071
5-[4-(4-chlorophenyl)phenyl]-1,3-oxazole
CID 21408358
4-(1,3-oxazol-5-yl)-N-[(2-phenylmethoxyphenyl)methyl]aniline
CID 121255770
2-bromo-4-[[4-(1,3-oxazol-5-yl)anilino]methyl]phenol
CID 63045032
N-[(3-fluoro-4-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 63646400
N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 62351715
N-[(2,6-dichlorophenyl)methyl]-4-iodoaniline
CID 28878736

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline (CID 60942944) is N-[(2,6-dichlorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline is Clc1cccc(Cl)c1CNc1ccc(-c2cnco2)cc1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline?
The InChIKey is PIQLBVKLDZGZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c17-14-2-1-3-15(18)13(14)8-20-12-6-4-11(5-7-12)16-9-19-10-21-16/h1-7,9-10,20H,8H2.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline?
N-[(2,6-dichlorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline has a molecular weight of 319.19 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 60942944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).