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

C14H19ClN2O — CID 59173201

IUPAC(4S)-4-[3-(4-chlorophenyl)-3-methylbutyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCC(C)(CC[C@H]1COC(N)=N1)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O/c1-14(2,10-3-5-11(15)6-4-10)8-7-12-9-18-13(16)17-12/h3-6,12H,7-9H2,1-2H3,(H2,16,17)/t12-/m0/s1
InChIKeyOZJBZOQILKQGJH-LBPRGKRZSA-N
MW266.77 g/mol
LogP3.11
Rot. Bonds4

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

(4S)-4-[3-(4-chlorophenyl)-3-methylbutyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59173201) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (4S)-4-[3-(4-chlorophenyl)-3-methylbutyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[3-(4-chlorophenyl)-3-methylbutyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59173201
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(4S)-4-[3-(4-chlorophenyl)-3-methylbutyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCC(C)(CC[C@H]1COC(N)=N1)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O/c1-14(2,10-3-5-11(15)6-4-10)8-7-12-9-18-13(16)17-12/h3-6,12H,7-9H2,1-2H3,(H2,16,17)/t12-/m0/s1
InChIKeyOZJBZOQILKQGJH-LBPRGKRZSA-N
XLogP3.11
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.11
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-chlorophenyl)-3-methylbutyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[3-(4-chlorophenyl)-3-methylbutyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 59173201) is (4S)-4-[3-(4-chlorophenyl)-3-methylbutyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[3-(4-chlorophenyl)-3-methylbutyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[3-(4-chlorophenyl)-3-methylbutyl]-4,5-dihydro-1,3-oxazol-2-amine is CC(C)(CC[C@H]1COC(N)=N1)c1ccc(Cl)cc1.
What is the InChIKey of (4S)-4-[3-(4-chlorophenyl)-3-methylbutyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is OZJBZOQILKQGJH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-14(2,10-3-5-11(15)6-4-10)8-7-12-9-18-13(16)17-12/h3-6,12H,7-9H2,1-2H3,(H2,16,17)/t12-/m0/s1.
What are the key properties of (4S)-4-[3-(4-chlorophenyl)-3-methylbutyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[3-(4-chlorophenyl)-3-methylbutyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 266.77 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[3-(4-chlorophenyl)-3-methylbutyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59173201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).