N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C16H20ClN3O3 — CID 111450939

IUPACN-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(C)c1noc(CCC(=O)NCC(O)c2ccccc2Cl)n1
InChIInChI=1S/C16H20ClN3O3/c1-10(2)16-19-15(23-20-16)8-7-14(22)18-9-13(21)11-5-3-4-6-12(11)17/h3-6,10,13,21H,7-9H2,1-2H3,(H,18,22)
InChIKeyDJYKXTODYWSVMV-UHFFFAOYSA-N
MW337.81 g/mol
LogP2.63
Rot. Bonds7

About N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 111450939) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID111450939
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC NameN-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(C)c1noc(CCC(=O)NCC(O)c2ccccc2Cl)n1
InChIInChI=1S/C16H20ClN3O3/c1-10(2)16-19-15(23-20-16)8-7-14(22)18-9-13(21)11-5-3-4-6-12(11)17/h3-6,10,13,21H,7-9H2,1-2H3,(H,18,22)
InChIKeyDJYKXTODYWSVMV-UHFFFAOYSA-N
XLogP2.63
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 111566233
N-[(4-chlorophenyl)methyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 38767491
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 111111566
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4,4-dimethylpentanamide
CID 111450920
N-(3-hydroxybutyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 111433361
2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid
CID 119136385
N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-ethylpentanediamide
CID 111450926
N-(3-hydroxy-4-methylpentyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 111461301
N-(3-aminobutyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
CID 119496886
N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 94819649
N-[2-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]butanamide
CID 111451181
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 111450825

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 111450939) is N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide is CC(C)c1noc(CCC(=O)NCC(O)c2ccccc2Cl)n1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is DJYKXTODYWSVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c1-10(2)16-19-15(23-20-16)8-7-14(22)18-9-13(21)11-5-3-4-6-12(11)17/h3-6,10,13,21H,7-9H2,1-2H3,(H,18,22).
What are the key properties of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 337.81 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 111450939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).