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

C21H19N3O3 — CID 126446922

IUPAC4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
SMILESO=C(N[C@H]1COc2ccccc2C1)c1ccc(-c2noc(C3CC3)n2)cc1
InChIInChI=1S/C21H19N3O3/c25-20(22-17-11-16-3-1-2-4-18(16)26-12-17)14-7-5-13(6-8-14)19-23-21(27-24-19)15-9-10-15/h1-8,15,17H,9-12H2,(H,22,25)/t17-/m1/s1
InChIKeyZWKCKKFABYCSSM-QGZVFWFLSA-N
MW361.40 g/mol
LogP3.35
Rot. Bonds4

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

4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide (PubChem CID 126446922) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide.

Molecular Properties

Compound Name4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
PubChem CID126446922
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
SMILESO=C(N[C@H]1COc2ccccc2C1)c1ccc(-c2noc(C3CC3)n2)cc1
InChIInChI=1S/C21H19N3O3/c25-20(22-17-11-16-3-1-2-4-18(16)26-12-17)14-7-5-13(6-8-14)19-23-21(27-24-19)15-9-10-15/h1-8,15,17H,9-12H2,(H,22,25)/t17-/m1/s1
InChIKeyZWKCKKFABYCSSM-QGZVFWFLSA-N
XLogP3.35
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
4-chloro-N-(3,4-dihydro-2H-chromen-3-yl)benzamide
CID 110751510
N-(3,4-dihydro-2H-chromen-3-yl)-4-(dimethylamino)benzamide
CID 110751024
N-(3,4-dihydro-2H-chromen-3-yl)pyridine-3-carboxamide
CID 110751511
N-(3,4-dihydro-2H-chromen-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 119041092
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 94466647
N-(3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 86286458
N-(3,4-dihydro-2H-chromen-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70739420
N-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]acetamide
CID 139412760
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 61339415
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 125164487
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 46292695

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide?
The IUPAC name of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide (CID 126446922) is 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide.
What is the SMILES notation for 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide?
The canonical SMILES for 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide is O=C(N[C@H]1COc2ccccc2C1)c1ccc(-c2noc(C3CC3)n2)cc1.
What is the InChIKey of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide?
The InChIKey is ZWKCKKFABYCSSM-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H19N3O3/c25-20(22-17-11-16-3-1-2-4-18(16)26-12-17)14-7-5-13(6-8-14)19-23-21(27-24-19)15-9-10-15/h1-8,15,17H,9-12H2,(H,22,25)/t17-/m1/s1.
What are the key properties of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide?
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide has a molecular weight of 361.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide is sourced from PubChem (CID 126446922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).