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

C9H8Cl2N2O — CID 24966113

IUPAC(4S)-4-(3,4-dichlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](c2ccc(Cl)c(Cl)c2)CO1
InChIInChI=1S/C9H8Cl2N2O/c10-6-2-1-5(3-7(6)11)8-4-14-9(12)13-8/h1-3,8H,4H2,(H2,12,13)/t8-/m1/s1
InChIKeyHGGPGNSCBBAGJN-MRVPVSSYSA-N
MW231.08 g/mol
LogP2.38
Rot. Bonds1

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

(4S)-4-(3,4-dichlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 24966113) has the molecular formula C9H8Cl2N2O and a molecular weight of 231.08 g/mol. Its IUPAC name is (4S)-4-(3,4-dichlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-(3,4-dichlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID24966113
Molecular FormulaC9H8Cl2N2O
Molecular Weight231.08 g/mol
Exact Mass230.00
IUPAC Name(4S)-4-(3,4-dichlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](c2ccc(Cl)c(Cl)c2)CO1
InChIInChI=1S/C9H8Cl2N2O/c10-6-2-1-5(3-7(6)11)8-4-14-9(12)13-8/h1-3,8H,4H2,(H2,12,13)/t8-/m1/s1
InChIKeyHGGPGNSCBBAGJN-MRVPVSSYSA-N
XLogP2.38
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.08
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-(3,4-dichlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-(3,4-dichlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 24966113) is (4S)-4-(3,4-dichlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-(3,4-dichlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-(3,4-dichlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine is NC1=N[C@@H](c2ccc(Cl)c(Cl)c2)CO1.
What is the InChIKey of (4S)-4-(3,4-dichlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is HGGPGNSCBBAGJN-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H8Cl2N2O/c10-6-2-1-5(3-7(6)11)8-4-14-9(12)13-8/h1-3,8H,4H2,(H2,12,13)/t8-/m1/s1.
What are the key properties of (4S)-4-(3,4-dichlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-(3,4-dichlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 231.08 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3,4-dichlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 24966113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).