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

C10H11ClN2O — CID 59323764

IUPAC(4S)-4-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C10H11ClN2O/c11-8-3-1-7(2-4-8)5-9-6-14-10(12)13-9/h1-4,9H,5-6H2,(H2,12,13)/t9-/m0/s1
InChIKeyYKOBUARTHJFDTI-VIFPVBQESA-N
MW210.66 g/mol
LogP1.60
Rot. Bonds2

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

(4S)-4-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59323764) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is (4S)-4-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59323764
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name(4S)-4-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C10H11ClN2O/c11-8-3-1-7(2-4-8)5-9-6-14-10(12)13-9/h1-4,9H,5-6H2,(H2,12,13)/t9-/m0/s1
InChIKeyYKOBUARTHJFDTI-VIFPVBQESA-N
XLogP1.60
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 59323764) is (4S)-4-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine is NC1=N[C@@H](Cc2ccc(Cl)cc2)CO1.
What is the InChIKey of (4S)-4-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is YKOBUARTHJFDTI-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11ClN2O/c11-8-3-1-7(2-4-8)5-9-6-14-10(12)13-9/h1-4,9H,5-6H2,(H2,12,13)/t9-/m0/s1.
What are the key properties of (4S)-4-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 210.66 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59323764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).