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

C18H16Cl2N2O — CID 9251492

IUPAC1-(3,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCN(Cc1ccc(Cl)c(Cl)c1)Cc1ncc(-c2ccccc2)o1
InChIInChI=1S/C18H16Cl2N2O/c1-22(11-13-7-8-15(19)16(20)9-13)12-18-21-10-17(23-18)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyYRZHHDGEXZLXIA-UHFFFAOYSA-N
MW347.25 g/mol
LogP5.28
Rot. Bonds5

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

1-(3,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 9251492) has the molecular formula C18H16Cl2N2O and a molecular weight of 347.25 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID9251492
Molecular FormulaC18H16Cl2N2O
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name1-(3,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCN(Cc1ccc(Cl)c(Cl)c1)Cc1ncc(-c2ccccc2)o1
InChIInChI=1S/C18H16Cl2N2O/c1-22(11-13-7-8-15(19)16(20)9-13)12-18-21-10-17(23-18)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyYRZHHDGEXZLXIA-UHFFFAOYSA-N
XLogP5.28
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.25
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methoxynaphthalen-2-yl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
CID 18088834
1-(3,4-dichlorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 9251541
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 27101616
1-(1-benzothiophen-3-yl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
CID 60500829
N-methyl-1-(oxan-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
CID 86825192
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetic acid
CID 43442560
1-[3-(difluoromethoxy)phenyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-N-methylmethanamine
CID 48632325
N-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 60608120
N-[(4-fluorophenyl)methyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51075029
N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-pyridin-4-ylpropan-1-amine
CID 75435406
4-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]aniline
CID 43458300
methyl 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetate
CID 60670524

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine (CID 9251492) is 1-(3,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine is CN(Cc1ccc(Cl)c(Cl)c1)Cc1ncc(-c2ccccc2)o1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is YRZHHDGEXZLXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O/c1-22(11-13-7-8-15(19)16(20)9-13)12-18-21-10-17(23-18)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine?
1-(3,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 347.25 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 9251492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).