(4S)-4-(4-chloro-2-ethylphenyl)-4,5-dihydro-1,3-oxazol-2-amine

C11H13ClN2O — CID 59323794

IUPAC(4S)-4-(4-chloro-2-ethylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCc1cc(Cl)ccc1[C@H]1COC(N)=N1
InChIInChI=1S/C11H13ClN2O/c1-2-7-5-8(12)3-4-9(7)10-6-15-11(13)14-10/h3-5,10H,2,6H2,1H3,(H2,13,14)/t10-/m1/s1
InChIKeyQMJCJXYDQQSDCX-SNVBAGLBSA-N
MW224.69 g/mol
LogP2.29
Rot. Bonds2

About (4S)-4-(4-chloro-2-ethylphenyl)-4,5-dihydro-1,3-oxazol-2-amine

(4S)-4-(4-chloro-2-ethylphenyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59323794) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is (4S)-4-(4-chloro-2-ethylphenyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-(4-chloro-2-ethylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59323794
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name(4S)-4-(4-chloro-2-ethylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCc1cc(Cl)ccc1[C@H]1COC(N)=N1
InChIInChI=1S/C11H13ClN2O/c1-2-7-5-8(12)3-4-9(7)10-6-15-11(13)14-10/h3-5,10H,2,6H2,1H3,(H2,13,14)/t10-/m1/s1
InChIKeyQMJCJXYDQQSDCX-SNVBAGLBSA-N
XLogP2.29
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

RO-5263397
CID 56835991
(S)-4-[2-(3-chloro-phenyl)-ethyl]-4,5-dihydro-oxazol-2-ylamine
CID 24963281
(S)-4-(3,4-Dichlorophenyl)-4,5-dihydrooxazol-2-amine
CID 24966113
(4S)-4-(4-chloro-2-cyclopropylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323783
(4S)-4-(4-chloro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 127031959
(4S)-4-(2-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966106
(S)-4-(4-Chlorophenyl)-4,5-dihydrooxazol-2-amine
CID 24966108
(4S)-4-(2-chlorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
CID 24966469
(4S)-4-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323671
(S)-4-(3-Chlorophenyl)-4,5-dihydrooxazol-2-amine
CID 59323754
(4S)-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323758
(4S)-4-(3,4-dichlorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
CID 24966461

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-chloro-2-ethylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-(4-chloro-2-ethylphenyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 59323794) is (4S)-4-(4-chloro-2-ethylphenyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-(4-chloro-2-ethylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-(4-chloro-2-ethylphenyl)-4,5-dihydro-1,3-oxazol-2-amine is CCc1cc(Cl)ccc1[C@H]1COC(N)=N1.
What is the InChIKey of (4S)-4-(4-chloro-2-ethylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is QMJCJXYDQQSDCX-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-2-7-5-8(12)3-4-9(7)10-6-15-11(13)14-10/h3-5,10H,2,6H2,1H3,(H2,13,14)/t10-/m1/s1.
What are the key properties of (4S)-4-(4-chloro-2-ethylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-(4-chloro-2-ethylphenyl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 224.69 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-chloro-2-ethylphenyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59323794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).