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

C11H13ClN2O — CID 754914

IUPACN-(3-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazol-2-amine
SMILESCC1(C)COC(Nc2cccc(Cl)c2)=N1
InChIInChI=1S/C11H13ClN2O/c1-11(2)7-15-10(14-11)13-9-5-3-4-8(12)6-9/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyQWHURSPYWKSHSI-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.92
Rot. Bonds1

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

N-(3-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazol-2-amine (PubChem CID 754914) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazol-2-amine
PubChem CID754914
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC NameN-(3-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazol-2-amine
SMILESCC1(C)COC(Nc2cccc(Cl)c2)=N1
InChIInChI=1S/C11H13ClN2O/c1-11(2)7-15-10(14-11)13-9-5-3-4-8(12)6-9/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyQWHURSPYWKSHSI-UHFFFAOYSA-N
XLogP2.92
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazol-2-amine?
The IUPAC name of N-(3-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazol-2-amine (CID 754914) is N-(3-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazol-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazol-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazol-2-amine is CC1(C)COC(Nc2cccc(Cl)c2)=N1.
What is the InChIKey of N-(3-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazol-2-amine?
The InChIKey is QWHURSPYWKSHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-11(2)7-15-10(14-11)13-9-5-3-4-8(12)6-9/h3-6H,7H2,1-2H3,(H,13,14).
What are the key properties of N-(3-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazol-2-amine?
N-(3-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazol-2-amine has a molecular weight of 224.69 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazol-2-amine is sourced from PubChem (CID 754914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).