1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-dimethylmethanamine

C12H13ClN2O — CID 3049273

IUPAC1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C12H13ClN2O/c1-15(2)8-12-14-7-11(16-12)9-3-5-10(13)6-4-9/h3-7H,8H2,1-2H3
InChIKeyHDUGFAKIPMIYBW-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.06
Rot. Bonds3

About 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-dimethylmethanamine

1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-dimethylmethanamine (PubChem CID 3049273) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-dimethylmethanamine
PubChem CID3049273
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C12H13ClN2O/c1-15(2)8-12-14-7-11(16-12)9-3-5-10(13)6-4-9/h3-7H,8H2,1-2H3
InChIKeyHDUGFAKIPMIYBW-UHFFFAOYSA-N
XLogP3.06
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-dimethylmethanamine (CID 3049273) is 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-dimethylmethanamine is CN(C)Cc1ncc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-dimethylmethanamine?
The InChIKey is HDUGFAKIPMIYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-15(2)8-12-14-7-11(16-12)9-3-5-10(13)6-4-9/h3-7H,8H2,1-2H3.
What are the key properties of 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-dimethylmethanamine?
1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-dimethylmethanamine has a molecular weight of 236.70 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 3049273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).