N-[5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]oxolane-2-carboxamide

C14H14F2N4O3 — CID 126803992

IUPACN-[5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]oxolane-2-carboxamide
SMILESO=C(Nc1n[nH]c(-c2cccc(OC(F)F)c2)n1)C1CCCO1
InChIInChI=1S/C14H14F2N4O3/c15-13(16)23-9-4-1-3-8(7-9)11-17-14(20-19-11)18-12(21)10-5-2-6-22-10/h1,3-4,7,10,13H,2,5-6H2,(H2,17,18,19,20,21)
InChIKeyDQWRRDWNWUHFSR-UHFFFAOYSA-N
MW324.29 g/mol
LogP2.19
Rot. Bonds5

About N-[5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]oxolane-2-carboxamide

N-[5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]oxolane-2-carboxamide (PubChem CID 126803992) has the molecular formula C14H14F2N4O3 and a molecular weight of 324.29 g/mol. Its IUPAC name is N-[5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]oxolane-2-carboxamide
PubChem CID126803992
Molecular FormulaC14H14F2N4O3
Molecular Weight324.29 g/mol
Exact Mass324.10
IUPAC NameN-[5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]oxolane-2-carboxamide
SMILESO=C(Nc1n[nH]c(-c2cccc(OC(F)F)c2)n1)C1CCCO1
InChIInChI=1S/C14H14F2N4O3/c15-13(16)23-9-4-1-3-8(7-9)11-17-14(20-19-11)18-12(21)10-5-2-6-22-10/h1,3-4,7,10,13H,2,5-6H2,(H2,17,18,19,20,21)
InChIKeyDQWRRDWNWUHFSR-UHFFFAOYSA-N
XLogP2.19
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 167768613
(2S)-N-[3-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 39991424
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]oxolane-2-carboxamide
CID 71804951
(2R)-N-[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]oxolane-2-carboxamide
CID 129381567
N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]cyclopentanecarboxamide
CID 9246816
(2S)-N-(3-cyclopentyloxyphenyl)oxolane-2-carboxamide
CID 38405594
N-(2,6-dimethylphenyl)oxolane-2-carboxamide
CID 3155119
2-[3-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate
CID 7126486
N-[3-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide
CID 2960902
(2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)oxolane-2-carboxamide
CID 103872756

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]oxolane-2-carboxamide?
The IUPAC name of N-[5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]oxolane-2-carboxamide (CID 126803992) is N-[5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]oxolane-2-carboxamide is O=C(Nc1n[nH]c(-c2cccc(OC(F)F)c2)n1)C1CCCO1.
What is the InChIKey of N-[5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]oxolane-2-carboxamide?
The InChIKey is DQWRRDWNWUHFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O3/c15-13(16)23-9-4-1-3-8(7-9)11-17-14(20-19-11)18-12(21)10-5-2-6-22-10/h1,3-4,7,10,13H,2,5-6H2,(H2,17,18,19,20,21).
What are the key properties of N-[5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]oxolane-2-carboxamide?
N-[5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]oxolane-2-carboxamide has a molecular weight of 324.29 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]oxolane-2-carboxamide is sourced from PubChem (CID 126803992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).