(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanal

C11H10ClN3O2 — CID 178127775

IUPAC(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanal
SMILESC[C@H](C=O)Nc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C11H10ClN3O2/c1-7(6-16)13-11-15-14-10(17-11)8-2-4-9(12)5-3-8/h2-7H,1H3,(H,13,15)/t7-/m1/s1
InChIKeyHIRQBTNGFQWBAD-SSDOTTSWSA-N
MW251.67 g/mol
LogP2.39
Rot. Bonds4

About (2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanal

(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanal (PubChem CID 178127775) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is (2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanal.

Molecular Properties

Compound Name(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanal
PubChem CID178127775
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanal
SMILESC[C@H](C=O)Nc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C11H10ClN3O2/c1-7(6-16)13-11-15-14-10(17-11)8-2-4-9(12)5-3-8/h2-7H,1H3,(H,13,15)/t7-/m1/s1
InChIKeyHIRQBTNGFQWBAD-SSDOTTSWSA-N
XLogP2.39
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanoic acid
CID 178127977
5-(4-chlorophenyl)-N-propan-2-yl-1,3,4-oxadiazol-2-amine;7-fluoro-5-azaspiro[2.4]heptane-5-carbaldehyde
CID 178127715
5-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 86058835
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethoxybenzamide
CID 5185834
(2R,3S)-1-(5-azaspiro[2.4]heptan-5-yl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-3-hydroxybutan-1-one
CID 178127846
5-(4-chlorophenyl)-N-dianilinophosphoryl-1,3,4-oxadiazol-2-amine
CID 12533205
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylbutan-1-amine
CID 110652439
N-(4-bromophenyl)-5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 70676807
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(diethylamino)acetamide
CID 24854246
2,5-dichloro-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4122330
5-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 155811575
4-chloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]phenol
CID 176729719

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanal?
The IUPAC name of (2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanal (CID 178127775) is (2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanal.
What is the SMILES notation for (2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanal?
The canonical SMILES for (2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanal is C[C@H](C=O)Nc1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of (2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanal?
The InChIKey is HIRQBTNGFQWBAD-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-7(6-16)13-11-15-14-10(17-11)8-2-4-9(12)5-3-8/h2-7H,1H3,(H,13,15)/t7-/m1/s1.
What are the key properties of (2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanal?
(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanal has a molecular weight of 251.67 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanal is sourced from PubChem (CID 178127775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).