(4S)-4-[2-(3-chlorophenyl)ethyl]-4-methyl-5H-1,3-oxazol-2-amine

C12H15ClN2O — CID 24963283

IUPAC(4S)-4-[2-(3-chlorophenyl)ethyl]-4-methyl-5H-1,3-oxazol-2-amine
SMILESC[C@]1(CCc2cccc(Cl)c2)COC(N)=N1
InChIInChI=1S/C12H15ClN2O/c1-12(8-16-11(14)15-12)6-5-9-3-2-4-10(13)7-9/h2-4,7H,5-6,8H2,1H3,(H2,14,15)/t12-/m0/s1
InChIKeyHRPWWHKNCIKCGN-LBPRGKRZSA-N
MW238.72 g/mol
LogP2.38
Rot. Bonds3

About (4S)-4-[2-(3-chlorophenyl)ethyl]-4-methyl-5H-1,3-oxazol-2-amine

(4S)-4-[2-(3-chlorophenyl)ethyl]-4-methyl-5H-1,3-oxazol-2-amine (PubChem CID 24963283) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is (4S)-4-[2-(3-chlorophenyl)ethyl]-4-methyl-5H-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[2-(3-chlorophenyl)ethyl]-4-methyl-5H-1,3-oxazol-2-amine
PubChem CID24963283
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name(4S)-4-[2-(3-chlorophenyl)ethyl]-4-methyl-5H-1,3-oxazol-2-amine
SMILESC[C@]1(CCc2cccc(Cl)c2)COC(N)=N1
InChIInChI=1S/C12H15ClN2O/c1-12(8-16-11(14)15-12)6-5-9-3-2-4-10(13)7-9/h2-4,7H,5-6,8H2,1H3,(H2,14,15)/t12-/m0/s1
InChIKeyHRPWWHKNCIKCGN-LBPRGKRZSA-N
XLogP2.38
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-(3-chlorophenyl)ethyl]-4-methyl-5H-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[2-(3-chlorophenyl)ethyl]-4-methyl-5H-1,3-oxazol-2-amine (CID 24963283) is (4S)-4-[2-(3-chlorophenyl)ethyl]-4-methyl-5H-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[2-(3-chlorophenyl)ethyl]-4-methyl-5H-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[2-(3-chlorophenyl)ethyl]-4-methyl-5H-1,3-oxazol-2-amine is C[C@]1(CCc2cccc(Cl)c2)COC(N)=N1.
What is the InChIKey of (4S)-4-[2-(3-chlorophenyl)ethyl]-4-methyl-5H-1,3-oxazol-2-amine?
The InChIKey is HRPWWHKNCIKCGN-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-12(8-16-11(14)15-12)6-5-9-3-2-4-10(13)7-9/h2-4,7H,5-6,8H2,1H3,(H2,14,15)/t12-/m0/s1.
What are the key properties of (4S)-4-[2-(3-chlorophenyl)ethyl]-4-methyl-5H-1,3-oxazol-2-amine?
(4S)-4-[2-(3-chlorophenyl)ethyl]-4-methyl-5H-1,3-oxazol-2-amine has a molecular weight of 238.72 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-(3-chlorophenyl)ethyl]-4-methyl-5H-1,3-oxazol-2-amine is sourced from PubChem (CID 24963283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).