N-[2-(4-chlorophenyl)oxolan-3-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide

C17H20ClN3O3 — CID 84598691

IUPACN-[2-(4-chlorophenyl)oxolan-3-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCc1noc(CCCC(=O)NC2CCOC2c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H20ClN3O3/c1-11-19-16(24-21-11)4-2-3-15(22)20-14-9-10-23-17(14)12-5-7-13(18)8-6-12/h5-8,14,17H,2-4,9-10H2,1H3,(H,20,22)
InChIKeyBONLYPZVILDYLW-UHFFFAOYSA-N
MW349.82 g/mol
LogP3.00
Rot. Bonds6

About N-[2-(4-chlorophenyl)oxolan-3-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide

N-[2-(4-chlorophenyl)oxolan-3-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 84598691) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)oxolan-3-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)oxolan-3-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID84598691
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC NameN-[2-(4-chlorophenyl)oxolan-3-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCc1noc(CCCC(=O)NC2CCOC2c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H20ClN3O3/c1-11-19-16(24-21-11)4-2-3-15(22)20-14-9-10-23-17(14)12-5-7-13(18)8-6-12/h5-8,14,17H,2-4,9-10H2,1H3,(H,20,22)
InChIKeyBONLYPZVILDYLW-UHFFFAOYSA-N
XLogP3.00
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 100660010
1-[2-(4-chlorophenyl)oxolan-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 84595697
1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 97128270
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclooctylbutanamide
CID 39896911
1-[2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 75399797
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbutanamide
CID 47208997
N-[(2,4-dichlorophenyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 86931665
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)butanamide
CID 47209092
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 51100406
N-[(3S,4R)-3-methoxyoxan-4-yl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 91788142
(2S)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-phenylacetic acid
CID 119372360
2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]carbamoylamino]-N-prop-2-enylacetamide
CID 124615405

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)oxolan-3-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[2-(4-chlorophenyl)oxolan-3-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide (CID 84598691) is N-[2-(4-chlorophenyl)oxolan-3-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)oxolan-3-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)oxolan-3-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide is Cc1noc(CCCC(=O)NC2CCOC2c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[2-(4-chlorophenyl)oxolan-3-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is BONLYPZVILDYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-11-19-16(24-21-11)4-2-3-15(22)20-14-9-10-23-17(14)12-5-7-13(18)8-6-12/h5-8,14,17H,2-4,9-10H2,1H3,(H,20,22).
What are the key properties of N-[2-(4-chlorophenyl)oxolan-3-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
N-[2-(4-chlorophenyl)oxolan-3-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 349.82 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)oxolan-3-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 84598691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).