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

C10H11ClN2O — CID 127031959

IUPAC(4S)-4-(4-chloro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESCc1cc(Cl)ccc1[C@H]1COC(N)=N1
InChIInChI=1S/C10H11ClN2O/c1-6-4-7(11)2-3-8(6)9-5-14-10(12)13-9/h2-4,9H,5H2,1H3,(H2,12,13)/t9-/m1/s1
InChIKeyVICOLHFTEAKJRI-SECBINFHSA-N
MW210.66 g/mol
LogP2.03
Rot. Bonds1

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

(4S)-4-(4-chloro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 127031959) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is (4S)-4-(4-chloro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-(4-chloro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID127031959
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name(4S)-4-(4-chloro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESCc1cc(Cl)ccc1[C@H]1COC(N)=N1
InChIInChI=1S/C10H11ClN2O/c1-6-4-7(11)2-3-8(6)9-5-14-10(12)13-9/h2-4,9H,5H2,1H3,(H2,12,13)/t9-/m1/s1
InChIKeyVICOLHFTEAKJRI-SECBINFHSA-N
XLogP2.03
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-chloro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-(4-chloro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 127031959) is (4S)-4-(4-chloro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-(4-chloro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-(4-chloro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine is Cc1cc(Cl)ccc1[C@H]1COC(N)=N1.
What is the InChIKey of (4S)-4-(4-chloro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is VICOLHFTEAKJRI-SECBINFHSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-6-4-7(11)2-3-8(6)9-5-14-10(12)13-9/h2-4,9H,5H2,1H3,(H2,12,13)/t9-/m1/s1.
What are the key properties of (4S)-4-(4-chloro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-(4-chloro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 210.66 g/mol, XLogP of 2.03, 1 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-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 127031959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).