N-[1-[4-(azidomethyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide

C15H11F2N7O2 — CID 175984328

IUPACN-[1-[4-(azidomethyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
SMILES[N-]=[N+]=NCc1ccc(-n2cc(NC(=O)c3cocn3)c(C(F)F)n2)cc1
InChIInChI=1S/C15H11F2N7O2/c16-14(17)13-11(21-15(25)12-7-26-8-19-12)6-24(22-13)10-3-1-9(2-4-10)5-20-23-18/h1-4,6-8,14H,5H2,(H,21,25)
InChIKeyLGUOZXRBBWXSFC-UHFFFAOYSA-N
MW359.30 g/mol
LogP3.86
Rot. Bonds6

About N-[1-[4-(azidomethyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide

N-[1-[4-(azidomethyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide (PubChem CID 175984328) has the molecular formula C15H11F2N7O2 and a molecular weight of 359.30 g/mol. Its IUPAC name is N-[1-[4-(azidomethyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(azidomethyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
PubChem CID175984328
Molecular FormulaC15H11F2N7O2
Molecular Weight359.30 g/mol
Exact Mass359.09
IUPAC NameN-[1-[4-(azidomethyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
SMILES[N-]=[N+]=NCc1ccc(-n2cc(NC(=O)c3cocn3)c(C(F)F)n2)cc1
InChIInChI=1S/C15H11F2N7O2/c16-14(17)13-11(21-15(25)12-7-26-8-19-12)6-24(22-13)10-3-1-9(2-4-10)5-20-23-18/h1-4,6-8,14H,5H2,(H,21,25)
InChIKeyLGUOZXRBBWXSFC-UHFFFAOYSA-N
XLogP3.86
TPSA121.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-aminophenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide
CID 169214828
methyl 4-[3-(difluoromethyl)-4-[(2-pyridin-4-yl-1,3-oxazole-4-carbonyl)amino]pyrazol-1-yl]benzoate
CID 138695249
N-(2,6-diethylphenyl)-1,3-oxazole-4-carboxamide
CID 110689557
tert-butyl N-(cyclopropylmethyl)-N-[4-[4-[[3-(difluoromethyl)-1-[4-(hydroxymethyl)phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]carbamate
CID 138694870
N-(2,4-difluorophenyl)-1,3-oxazole-4-carboxamide
CID 91156888
N-[1-[4-(3-aminoprop-1-ynyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 146599604
2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 138727770
N-[3-(difluoromethyl)-1-[4-(hydroxymethyl)phenyl]pyrazol-4-yl]-5-[(1R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146598582
N-(4-aminophenyl)-1,3-oxazole-4-carboxamide
CID 22612942
4-[3-[[3-(difluoromethyl)-1-[4-(hydroxymethyl)phenyl]pyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylic acid
CID 155251054
2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[4-[[2-(2,4-dioxo-1,3-diazinan-1-yl)-1-oxo-3H-isoindol-5-yl]methyl]piperazin-1-yl]phenyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 172610826
N-[3-(difluoromethyl)-1-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperazin-1-yl]phenyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 168872488

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(azidomethyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-[4-(azidomethyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide (CID 175984328) is N-[1-[4-(azidomethyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[4-(azidomethyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[4-(azidomethyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide is [N-]=[N+]=NCc1ccc(-n2cc(NC(=O)c3cocn3)c(C(F)F)n2)cc1.
What is the InChIKey of N-[1-[4-(azidomethyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is LGUOZXRBBWXSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N7O2/c16-14(17)13-11(21-15(25)12-7-26-8-19-12)6-24(22-13)10-3-1-9(2-4-10)5-20-23-18/h1-4,6-8,14H,5H2,(H,21,25).
What are the key properties of N-[1-[4-(azidomethyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
N-[1-[4-(azidomethyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 359.30 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(azidomethyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 175984328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).