4-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]-N,N-dimethylaniline

C13H15ClN2O — CID 82087527

IUPAC4-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]-N,N-dimethylaniline
SMILESCc1oc(-c2ccc(N(C)C)cc2)nc1CCl
InChIInChI=1S/C13H15ClN2O/c1-9-12(8-14)15-13(17-9)10-4-6-11(7-5-10)16(2)3/h4-7H,8H2,1-3H3
InChIKeyVZEDAHRFMWZJMQ-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.45
Rot. Bonds3

About 4-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]-N,N-dimethylaniline

4-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]-N,N-dimethylaniline (PubChem CID 82087527) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 4-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]-N,N-dimethylaniline
PubChem CID82087527
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name4-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]-N,N-dimethylaniline
SMILESCc1oc(-c2ccc(N(C)C)cc2)nc1CCl
InChIInChI=1S/C13H15ClN2O/c1-9-12(8-14)15-13(17-9)10-4-6-11(7-5-10)16(2)3/h4-7H,8H2,1-3H3
InChIKeyVZEDAHRFMWZJMQ-UHFFFAOYSA-N
XLogP3.45
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
CID 14479955
[4-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]phenyl] acetate
CID 69217279
4-(chloromethyl)-2-(3-iodophenyl)-5-methyl-1,3-oxazole
CID 53404213
4-[4-(chloromethyl)-5-methyl-1H-imidazol-2-yl]-N,N-dimethylaniline
CID 59059175
ethane;4-ethyl-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 142936013
[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanamine
CID 46344053
methyl 5-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]-2-methylbenzoate
CID 23076346
2-[3-[2-[2-[4-(dimethylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid
CID 22169844
4-(chloromethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 5076491
4-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
CID 39355727
2-(2-bromophenyl)-4-(chloromethyl)-5-methyl-1,3-oxazole
CID 53403506
4-(4-chloro-1,3-benzoxazol-2-yl)-N,N-dimethylaniline
CID 141349087

Frequently Asked Questions

What is the IUPAC name of 4-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]-N,N-dimethylaniline (CID 82087527) is 4-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]-N,N-dimethylaniline is Cc1oc(-c2ccc(N(C)C)cc2)nc1CCl.
What is the InChIKey of 4-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]-N,N-dimethylaniline?
The InChIKey is VZEDAHRFMWZJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-9-12(8-14)15-13(17-9)10-4-6-11(7-5-10)16(2)3/h4-7H,8H2,1-3H3.
What are the key properties of 4-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]-N,N-dimethylaniline?
4-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]-N,N-dimethylaniline has a molecular weight of 250.73 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 82087527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).