N-[1-(4-aminophenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide

C19H14F2N6O2 — CID 169214828

IUPACN-[1-(4-aminophenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide
SMILESNc1ccc(-n2cc(NC(=O)c3coc(-c4ccncc4)n3)c(C(F)F)n2)cc1
InChIInChI=1S/C19H14F2N6O2/c20-17(21)16-14(9-27(26-16)13-3-1-12(22)2-4-13)24-18(28)15-10-29-19(25-15)11-5-7-23-8-6-11/h1-10,17H,22H2,(H,24,28)
InChIKeyGTRMMETZQWFKGR-UHFFFAOYSA-N
MW396.36 g/mol
LogP3.69
Rot. Bonds5

About N-[1-(4-aminophenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide

N-[1-(4-aminophenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide (PubChem CID 169214828) has the molecular formula C19H14F2N6O2 and a molecular weight of 396.36 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide
PubChem CID169214828
Molecular FormulaC19H14F2N6O2
Molecular Weight396.36 g/mol
Exact Mass396.11
IUPAC NameN-[1-(4-aminophenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide
SMILESNc1ccc(-n2cc(NC(=O)c3coc(-c4ccncc4)n3)c(C(F)F)n2)cc1
InChIInChI=1S/C19H14F2N6O2/c20-17(21)16-14(9-27(26-16)13-3-1-12(22)2-4-13)24-18(28)15-10-29-19(25-15)11-5-7-23-8-6-11/h1-10,17H,22H2,(H,24,28)
InChIKeyGTRMMETZQWFKGR-UHFFFAOYSA-N
XLogP3.69
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[3-(difluoromethyl)-4-[(2-pyridin-4-yl-1,3-oxazole-4-carbonyl)amino]pyrazol-1-yl]benzoate
CID 138695249
methyl 4-[3-carbamoyl-4-[(2-pyridin-4-yl-1,3-oxazole-4-carbonyl)amino]pyrazol-1-yl]benzoate
CID 138694971
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-(1,3-dimethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide
CID 155582638
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-[3-(difluoromethyl)-1-[4-[[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethyl-methylamino]methyl]phenyl]pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide
CID 138728677
2-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
CID 3854955
propan-2-yloxycarbonyl 4-[4-[[2-[2-[cyclopropylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]-3-(difluoromethyl)pyrazol-1-yl]benzoate
CID 138694601
N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 146599170
2-(4-aminophenyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 3857565
N-[1-[4-(azidomethyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 175984328

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-(4-aminophenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide (CID 169214828) is N-[1-(4-aminophenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-aminophenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(4-aminophenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide is Nc1ccc(-n2cc(NC(=O)c3coc(-c4ccncc4)n3)c(C(F)F)n2)cc1.
What is the InChIKey of N-[1-(4-aminophenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide?
The InChIKey is GTRMMETZQWFKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N6O2/c20-17(21)16-14(9-27(26-16)13-3-1-12(22)2-4-13)24-18(28)15-10-29-19(25-15)11-5-7-23-8-6-11/h1-10,17H,22H2,(H,24,28).
What are the key properties of N-[1-(4-aminophenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide?
N-[1-(4-aminophenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide has a molecular weight of 396.36 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 169214828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).