5-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole

C16H13N3O2 — CID 29170089

IUPAC5-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc([C@H]3COc4ccccc4C3)n2)nc1
InChIInChI=1S/C16H13N3O2/c1-2-7-14-11(5-1)9-12(10-20-14)16-18-15(19-21-16)13-6-3-4-8-17-13/h1-8,12H,9-10H2/t12-/m1/s1
InChIKeyAFZINALXBZJUQT-GFCCVEGCSA-N
MW279.30 g/mol
LogP2.85
Rot. Bonds2

About 5-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole

5-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 29170089) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID29170089
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name5-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc([C@H]3COc4ccccc4C3)n2)nc1
InChIInChI=1S/C16H13N3O2/c1-2-7-14-11(5-1)9-12(10-20-14)16-18-15(19-21-16)13-6-3-4-8-17-13/h1-8,12H,9-10H2/t12-/m1/s1
InChIKeyAFZINALXBZJUQT-GFCCVEGCSA-N
XLogP2.85
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dihydro-2H-chromen-3-yl-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 154833769
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72839001
(3S)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97268325
2-[5-[(3S)-3,4-dihydro-2H-chromen-3-yl]-1-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyridine
CID 97452288
2-[5-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 63589294
5-cyclopentyl-3-(5-pyridin-2-yl-2-pyridinyl)-1,2,4-oxadiazole
CID 71088340
3-pyridin-2-yl-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1,2,4-oxadiazole
CID 126809326
ethyl 5-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazole-3-carboxylate
CID 63590004
(4R)-1-benzyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 51894139
3-pyrimidin-2-yl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
CID 106902639
(4R)-1-(4-fluorophenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 41014921
5-(2-methylpyrrolidin-3-yl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 79371542

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole (CID 29170089) is 5-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole is c1ccc(-c2noc([C@H]3COc4ccccc4C3)n2)nc1.
What is the InChIKey of 5-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is AFZINALXBZJUQT-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-2-7-14-11(5-1)9-12(10-20-14)16-18-15(19-21-16)13-6-3-4-8-17-13/h1-8,12H,9-10H2/t12-/m1/s1.
What are the key properties of 5-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
5-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 279.30 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 29170089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).