4-[4-(2-chlorophenyl)-2,2-dimethyl-5H-1,3-oxazol-5-yl]-N,N-dimethylaniline

C19H21ClN2O — CID 3061436

IUPAC4-[4-(2-chlorophenyl)-2,2-dimethyl-5H-1,3-oxazol-5-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2OC(C)(C)N=C2c2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O/c1-19(2)21-17(15-7-5-6-8-16(15)20)18(23-19)13-9-11-14(12-10-13)22(3)4/h5-12,18H,1-4H3
InChIKeyXYMKMRDSRQKFAR-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.70
Rot. Bonds3

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

4-[4-(2-chlorophenyl)-2,2-dimethyl-5H-1,3-oxazol-5-yl]-N,N-dimethylaniline (PubChem CID 3061436) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 4-[4-(2-chlorophenyl)-2,2-dimethyl-5H-1,3-oxazol-5-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[4-(2-chlorophenyl)-2,2-dimethyl-5H-1,3-oxazol-5-yl]-N,N-dimethylaniline
PubChem CID3061436
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name4-[4-(2-chlorophenyl)-2,2-dimethyl-5H-1,3-oxazol-5-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2OC(C)(C)N=C2c2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O/c1-19(2)21-17(15-7-5-6-8-16(15)20)18(23-19)13-9-11-14(12-10-13)22(3)4/h5-12,18H,1-4H3
InChIKeyXYMKMRDSRQKFAR-UHFFFAOYSA-N
XLogP4.70
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chlorophenyl)-2,2-dimethyl-5H-1,3-oxazol-5-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[4-(2-chlorophenyl)-2,2-dimethyl-5H-1,3-oxazol-5-yl]-N,N-dimethylaniline (CID 3061436) is 4-[4-(2-chlorophenyl)-2,2-dimethyl-5H-1,3-oxazol-5-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[4-(2-chlorophenyl)-2,2-dimethyl-5H-1,3-oxazol-5-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[4-(2-chlorophenyl)-2,2-dimethyl-5H-1,3-oxazol-5-yl]-N,N-dimethylaniline is CN(C)c1ccc(C2OC(C)(C)N=C2c2ccccc2Cl)cc1.
What is the InChIKey of 4-[4-(2-chlorophenyl)-2,2-dimethyl-5H-1,3-oxazol-5-yl]-N,N-dimethylaniline?
The InChIKey is XYMKMRDSRQKFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-19(2)21-17(15-7-5-6-8-16(15)20)18(23-19)13-9-11-14(12-10-13)22(3)4/h5-12,18H,1-4H3.
What are the key properties of 4-[4-(2-chlorophenyl)-2,2-dimethyl-5H-1,3-oxazol-5-yl]-N,N-dimethylaniline?
4-[4-(2-chlorophenyl)-2,2-dimethyl-5H-1,3-oxazol-5-yl]-N,N-dimethylaniline has a molecular weight of 328.84 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chlorophenyl)-2,2-dimethyl-5H-1,3-oxazol-5-yl]-N,N-dimethylaniline is sourced from PubChem (CID 3061436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).