3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide

C20H18ClN3O3 — CID 95850089

IUPAC3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide
SMILESO=C(CCc1nc(-c2ccccc2Cl)no1)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C20H18ClN3O3/c21-15-7-3-1-5-13(15)20-23-19(27-24-20)10-9-18(25)22-16-11-12-26-17-8-4-2-6-14(16)17/h1-8,16H,9-12H2,(H,22,25)/t16-/m1/s1
InChIKeyKCFRVDLIXCCUCA-MRXNPFEDSA-N
MW383.84 g/mol
LogP3.96
Rot. Bonds5

About 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide

3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide (PubChem CID 95850089) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide.

Molecular Properties

Compound Name3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide
PubChem CID95850089
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide
SMILESO=C(CCc1nc(-c2ccccc2Cl)no1)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C20H18ClN3O3/c21-15-7-3-1-5-13(15)20-23-19(27-24-20)10-9-18(25)22-16-11-12-26-17-8-4-2-6-14(16)17/h1-8,16H,9-12H2,(H,22,25)/t16-/m1/s1
InChIKeyKCFRVDLIXCCUCA-MRXNPFEDSA-N
XLogP3.96
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9159591
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9159599
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 41036701
2-chloro-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide
CID 17468818
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide
CID 63309102
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 50953070
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pentan-2-ylpropanamide
CID 133209724
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide
CID 17101530
N-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-2-ylpropanamide
CID 46524081
5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
CID 43580055
N-(3,4-dihydro-2H-chromen-4-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
CID 17397593

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide?
The IUPAC name of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide (CID 95850089) is 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide.
What is the SMILES notation for 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide?
The canonical SMILES for 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide is O=C(CCc1nc(-c2ccccc2Cl)no1)N[C@@H]1CCOc2ccccc21.
What is the InChIKey of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide?
The InChIKey is KCFRVDLIXCCUCA-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c21-15-7-3-1-5-13(15)20-23-19(27-24-20)10-9-18(25)22-16-11-12-26-17-8-4-2-6-14(16)17/h1-8,16H,9-12H2,(H,22,25)/t16-/m1/s1.
What are the key properties of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide?
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide has a molecular weight of 383.84 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide is sourced from PubChem (CID 95850089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).