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

C20H19N3O3 — CID 9159599

IUPACN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)no1)N[C@H]1CCOc2ccccc21
InChIInChI=1S/C20H19N3O3/c24-18(21-16-12-13-25-17-9-5-4-8-15(16)17)10-11-19-22-20(23-26-19)14-6-2-1-3-7-14/h1-9,16H,10-13H2,(H,21,24)/t16-/m0/s1
InChIKeyDSOFPVMFAUEAPS-INIZCTEOSA-N
MW349.39 g/mol
LogP3.31
Rot. Bonds5

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

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 9159599) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID9159599
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)no1)N[C@H]1CCOc2ccccc21
InChIInChI=1S/C20H19N3O3/c24-18(21-16-12-13-25-17-9-5-4-8-15(16)17)10-11-19-22-20(23-26-19)14-6-2-1-3-7-14/h1-9,16H,10-13H2,(H,21,24)/t16-/m0/s1
InChIKeyDSOFPVMFAUEAPS-INIZCTEOSA-N
XLogP3.31
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.31
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
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CID 41036701
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide
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3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 9210789
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 95795877
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5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
CID 43580055
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 70763611
N-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-2-ylpropanamide
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CID 100762518
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (CID 9159599) is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ccccc2)no1)N[C@H]1CCOc2ccccc21.
What is the InChIKey of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is DSOFPVMFAUEAPS-INIZCTEOSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-18(21-16-12-13-25-17-9-5-4-8-15(16)17)10-11-19-22-20(23-26-19)14-6-2-1-3-7-14/h1-9,16H,10-13H2,(H,21,24)/t16-/m0/s1.
What are the key properties of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 349.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 9159599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).