5-(4-chlorophenyl)-N,N-dimethyl-1,3-oxazol-2-amine

C11H11ClN2O — CID 13332314

IUPAC5-(4-chlorophenyl)-N,N-dimethyl-1,3-oxazol-2-amine
SMILESCN(C)c1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C11H11ClN2O/c1-14(2)11-13-7-10(15-11)8-3-5-9(12)6-4-8/h3-7H,1-2H3
InChIKeyQQPCXOCBKZHUPM-UHFFFAOYSA-N
MW222.68 g/mol
LogP3.06
Rot. Bonds2

About 5-(4-chlorophenyl)-N,N-dimethyl-1,3-oxazol-2-amine

5-(4-chlorophenyl)-N,N-dimethyl-1,3-oxazol-2-amine (PubChem CID 13332314) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N,N-dimethyl-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N,N-dimethyl-1,3-oxazol-2-amine
PubChem CID13332314
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name5-(4-chlorophenyl)-N,N-dimethyl-1,3-oxazol-2-amine
SMILESCN(C)c1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C11H11ClN2O/c1-14(2)11-13-7-10(15-11)8-3-5-9(12)6-4-8/h3-7H,1-2H3
InChIKeyQQPCXOCBKZHUPM-UHFFFAOYSA-N
XLogP3.06
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-5-(4-methylphenyl)-1,3-oxazol-2-amine
CID 121014240
2-[(1R)-1-chloroethyl]-5-(4-chlorophenyl)-1,3-oxazole
CID 93258003
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine;hydrochloride
CID 3049285
5-(4-chlorophenyl)-N,N-dimethyl-1,3,4-oxadiazol-2-amine
CID 1487943
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-ethylethanamine;hydrate;hydrochloride
CID 21152472
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylbenzenesulfonamide
CID 51228013
1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65181487
5-(4-bromophenyl)-2-(4-chlorophenyl)-1,3-oxazole
CID 2798251
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylazetidin-3-amine
CID 66185976
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetic acid
CID 43442560
5-(4-chlorophenyl)-2-[4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]naphthalen-1-yl]-1,3-oxazole
CID 59205808
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-ethylamino]ethanol
CID 60686061

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N,N-dimethyl-1,3-oxazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-N,N-dimethyl-1,3-oxazol-2-amine (CID 13332314) is 5-(4-chlorophenyl)-N,N-dimethyl-1,3-oxazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N,N-dimethyl-1,3-oxazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N,N-dimethyl-1,3-oxazol-2-amine is CN(C)c1ncc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 5-(4-chlorophenyl)-N,N-dimethyl-1,3-oxazol-2-amine?
The InChIKey is QQPCXOCBKZHUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-14(2)11-13-7-10(15-11)8-3-5-9(12)6-4-8/h3-7H,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-N,N-dimethyl-1,3-oxazol-2-amine?
5-(4-chlorophenyl)-N,N-dimethyl-1,3-oxazol-2-amine has a molecular weight of 222.68 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N,N-dimethyl-1,3-oxazol-2-amine is sourced from PubChem (CID 13332314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).