(2R)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylpropanamide

C17H21ClN4O3 — CID 9227893

IUPAC(2R)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C17H21ClN4O3/c1-3-10-19-17(24)11(2)20-14(23)8-9-15-21-16(22-25-15)12-4-6-13(18)7-5-12/h4-7,11H,3,8-10H2,1-2H3,(H,19,24)(H,20,23)/t11-/m1/s1
InChIKeyRPUVHYGFYMROFU-LLVKDONJSA-N
MW364.83 g/mol
LogP2.35
Rot. Bonds8

About (2R)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylpropanamide

(2R)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylpropanamide (PubChem CID 9227893) has the molecular formula C17H21ClN4O3 and a molecular weight of 364.83 g/mol. Its IUPAC name is (2R)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylpropanamide.

Molecular Properties

Compound Name(2R)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylpropanamide
PubChem CID9227893
Molecular FormulaC17H21ClN4O3
Molecular Weight364.83 g/mol
Exact Mass364.13
IUPAC Name(2R)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C17H21ClN4O3/c1-3-10-19-17(24)11(2)20-14(23)8-9-15-21-16(22-25-15)12-4-6-13(18)7-5-12/h4-7,11H,3,8-10H2,1-2H3,(H,19,24)(H,20,23)/t11-/m1/s1
InChIKeyRPUVHYGFYMROFU-LLVKDONJSA-N
XLogP2.35
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-ethylpropanamide
CID 9470716
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-pentan-2-yl]propanamide
CID 99641746
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 18148189
diethyl 2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanedioate
CID 33247967
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-methoxypropan-2-yl]propanamide
CID 94051750
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(ethylamino)ethyl]propanamide
CID 119505234
N-[2-oxo-2-(propylamino)ethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 35354145
N-(1-aminohexan-2-yl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 119665361
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(methylamino)propyl]propanamide
CID 120828775
N-[1-(4-chlorophenyl)ethyl]-3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 133244447
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(4-chlorophenyl)ethyl]propanamide
CID 133209753
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(furan-2-yl)ethyl]propanamide
CID 9482323

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylpropanamide?
The IUPAC name of (2R)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylpropanamide (CID 9227893) is (2R)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylpropanamide.
What is the SMILES notation for (2R)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylpropanamide?
The canonical SMILES for (2R)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylpropanamide is CCCNC(=O)[C@@H](C)NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of (2R)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylpropanamide?
The InChIKey is RPUVHYGFYMROFU-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21ClN4O3/c1-3-10-19-17(24)11(2)20-14(23)8-9-15-21-16(22-25-15)12-4-6-13(18)7-5-12/h4-7,11H,3,8-10H2,1-2H3,(H,19,24)(H,20,23)/t11-/m1/s1.
What are the key properties of (2R)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylpropanamide?
(2R)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylpropanamide has a molecular weight of 364.83 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylpropanamide is sourced from PubChem (CID 9227893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).