(2R)-1-[N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]anilino]propan-2-ol

C18H18ClN3O2 — CID 94824043

IUPAC(2R)-1-[N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]anilino]propan-2-ol
SMILESC[C@@H](O)CN(Cc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1
InChIInChI=1S/C18H18ClN3O2/c1-13(23)11-22(16-5-3-2-4-6-16)12-17-20-21-18(24-17)14-7-9-15(19)10-8-14/h2-10,13,23H,11-12H2,1H3/t13-/m1/s1
InChIKeyWTIGRFHOBQIUGS-CYBMUJFWSA-N
MW343.81 g/mol
LogP3.78
Rot. Bonds6

About (2R)-1-[N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]anilino]propan-2-ol

(2R)-1-[N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]anilino]propan-2-ol (PubChem CID 94824043) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is (2R)-1-[N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]anilino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]anilino]propan-2-ol
PubChem CID94824043
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name(2R)-1-[N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]anilino]propan-2-ol
SMILESC[C@@H](O)CN(Cc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1
InChIInChI=1S/C18H18ClN3O2/c1-13(23)11-22(16-5-3-2-4-6-16)12-17-20-21-18(24-17)14-7-9-15(19)10-8-14/h2-10,13,23H,11-12H2,1H3/t13-/m1/s1
InChIKeyWTIGRFHOBQIUGS-CYBMUJFWSA-N
XLogP3.78
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]anilino]propan-2-ol with MolForge

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Related Compounds

2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanoic acid
CID 62637417
N-benzyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxyaniline
CID 55446419
N-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 162418406
N-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 2982833
1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propan-2-ol
CID 62334129
(1R)-1-(2,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 95934999
4-chloro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 24555835
5-(4-chlorophenyl)-3-[[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylamino]methyl]-1,3,4-oxadiazole-2-thione
CID 17471745
(E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenylethenesulfonamide
CID 8007010
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[methyl(phenyl)carbamoyl]benzoate
CID 16510820
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
CID 35345708
methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanoate
CID 62013028

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]anilino]propan-2-ol?
The IUPAC name of (2R)-1-[N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]anilino]propan-2-ol (CID 94824043) is (2R)-1-[N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]anilino]propan-2-ol.
What is the SMILES notation for (2R)-1-[N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]anilino]propan-2-ol?
The canonical SMILES for (2R)-1-[N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]anilino]propan-2-ol is C[C@@H](O)CN(Cc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1.
What is the InChIKey of (2R)-1-[N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]anilino]propan-2-ol?
The InChIKey is WTIGRFHOBQIUGS-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-13(23)11-22(16-5-3-2-4-6-16)12-17-20-21-18(24-17)14-7-9-15(19)10-8-14/h2-10,13,23H,11-12H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-1-[N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]anilino]propan-2-ol?
(2R)-1-[N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]anilino]propan-2-ol has a molecular weight of 343.81 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]anilino]propan-2-ol is sourced from PubChem (CID 94824043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).