[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]methanamine

C18H18Cl2N2O — CID 59407423

IUPAC[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]methanamine
SMILESCc1cc(C2=NOC(C)(c3cc(Cl)cc(Cl)c3)C2)ccc1CN
InChIInChI=1S/C18H18Cl2N2O/c1-11-5-12(3-4-13(11)10-21)17-9-18(2,23-22-17)14-6-15(19)8-16(20)7-14/h3-8H,9-10,21H2,1-2H3
InChIKeyHNAQNEQSTMZEGG-UHFFFAOYSA-N
MW349.26 g/mol
LogP4.80
Rot. Bonds3

About [4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]methanamine

[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]methanamine (PubChem CID 59407423) has the molecular formula C18H18Cl2N2O and a molecular weight of 349.26 g/mol. Its IUPAC name is [4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]methanamine
PubChem CID59407423
Molecular FormulaC18H18Cl2N2O
Molecular Weight349.26 g/mol
Exact Mass348.08
IUPAC Name[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]methanamine
SMILESCc1cc(C2=NOC(C)(c3cc(Cl)cc(Cl)c3)C2)ccc1CN
InChIInChI=1S/C18H18Cl2N2O/c1-11-5-12(3-4-13(11)10-21)17-9-18(2,23-22-17)14-6-15(19)8-16(20)7-14/h3-8H,9-10,21H2,1-2H3
InChIKeyHNAQNEQSTMZEGG-UHFFFAOYSA-N
XLogP4.80
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate
CID 58338620
3-[4-(bromomethyl)-3-nitrophenyl]-5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazole
CID 59407447
4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-(ethylcarbamoyl)-2-methylbenzamide
CID 59363948
4-[(5S)-5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-2-methylbenzamide
CID 58182787
4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoic acid;methane;methyl 4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate
CID 158222560
1-[2-bromo-4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 59407444
1-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]sulfanyl-5,5,5-trifluoropentan-2-one
CID 147310125
4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-ethyl-2-methyl-N-(5-methylpyrimidin-2-yl)benzamide
CID 58182790
4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methyl-N-(1-oxothietan-3-yl)benzamide
CID 123345182
4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methyl-N-(oxolan-2-yl)benzamide
CID 58182833
4-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoic acid
CID 118052673
4-[2-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]-2-oxoethyl]-1-(2,2,2-trifluoroethyl)piperazine-2,6-dione
CID 118052654

Frequently Asked Questions

What is the IUPAC name of [4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]methanamine?
The IUPAC name of [4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]methanamine (CID 59407423) is [4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]methanamine.
What is the SMILES notation for [4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]methanamine?
The canonical SMILES for [4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]methanamine is Cc1cc(C2=NOC(C)(c3cc(Cl)cc(Cl)c3)C2)ccc1CN.
What is the InChIKey of [4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]methanamine?
The InChIKey is HNAQNEQSTMZEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O/c1-11-5-12(3-4-13(11)10-21)17-9-18(2,23-22-17)14-6-15(19)8-16(20)7-14/h3-8H,9-10,21H2,1-2H3.
What are the key properties of [4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]methanamine?
[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]methanamine has a molecular weight of 349.26 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]methanamine is sourced from PubChem (CID 59407423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).