3-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol

C14H14F2N2O3 — CID 65404893

IUPAC3-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
SMILESOC(Cc1nc(C2CCOc3ccccc32)no1)C(F)F
InChIInChI=1S/C14H14F2N2O3/c15-13(16)10(19)7-12-17-14(18-21-12)9-5-6-20-11-4-2-1-3-8(9)11/h1-4,9-10,13,19H,5-7H2
InChIKeyKDZWZCRQVWCAQZ-UHFFFAOYSA-N
MW296.27 g/mol
LogP2.15
Rot. Bonds4

About 3-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol

3-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol (PubChem CID 65404893) has the molecular formula C14H14F2N2O3 and a molecular weight of 296.27 g/mol. Its IUPAC name is 3-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
PubChem CID65404893
Molecular FormulaC14H14F2N2O3
Molecular Weight296.27 g/mol
Exact Mass296.10
IUPAC Name3-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
SMILESOC(Cc1nc(C2CCOc3ccccc32)no1)C(F)F
InChIInChI=1S/C14H14F2N2O3/c15-13(16)10(19)7-12-17-14(18-21-12)9-5-6-20-11-4-2-1-3-8(9)11/h1-4,9-10,13,19H,5-7H2
InChIKeyKDZWZCRQVWCAQZ-UHFFFAOYSA-N
XLogP2.15
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol with MolForge

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Related Compounds

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CID 141425440
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CID 141425441
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CID 166101924
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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol (CID 65404893) is 3-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol is OC(Cc1nc(C2CCOc3ccccc32)no1)C(F)F.
What is the InChIKey of 3-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol?
The InChIKey is KDZWZCRQVWCAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O3/c15-13(16)10(19)7-12-17-14(18-21-12)9-5-6-20-11-4-2-1-3-8(9)11/h1-4,9-10,13,19H,5-7H2.
What are the key properties of 3-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol?
3-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol has a molecular weight of 296.27 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 65404893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).