N-(6-methyl-3-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid

C18H14F3N3O4 — CID 44602340

IUPACN-(6-methyl-3-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H13N3O2.C2HF3O2/c1-11-7-8-13(10-17-11)18-16(20)14-9-15(21-19-14)12-5-3-2-4-6-12;3-2(4,5)1(6)7/h2-10H,1H3,(H,18,20);(H,6,7)
InChIKeyXRPSEDOVCVWNLM-UHFFFAOYSA-N
MW393.32 g/mol
LogP3.93
Rot. Bonds3

About N-(6-methyl-3-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid

N-(6-methyl-3-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 44602340) has the molecular formula C18H14F3N3O4 and a molecular weight of 393.32 g/mol. Its IUPAC name is N-(6-methyl-3-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(6-methyl-3-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID44602340
Molecular FormulaC18H14F3N3O4
Molecular Weight393.32 g/mol
Exact Mass393.09
IUPAC NameN-(6-methyl-3-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H13N3O2.C2HF3O2/c1-11-7-8-13(10-17-11)18-16(20)14-9-15(21-19-14)12-5-3-2-4-6-12;3-2(4,5)1(6)7/h2-10H,1H3,(H,18,20);(H,6,7)
InChIKeyXRPSEDOVCVWNLM-UHFFFAOYSA-N
XLogP3.93
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4S)-1-cyclohexyl-3-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141678041
5-phenyl-N-(2-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973877
2-[5-[(5-Methyl-1,2-oxazol-3-yl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid
CID 135567038
N-(2-chloropyridin-3-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 3586460
5-(4-chlorophenyl)-N-pyridin-3-ylisoxazole-3-carboxamide
CID 15988868
5-(2-hydroxyphenyl)-N-pyridin-3-ylisoxazole-3-carboxamide
CID 135439782
N-(2-chloro(3-pyridyl))[5-(2-hydroxyphenyl)isoxazol-3-yl]carboxamide
CID 135693599
N-(2-chloro(3-pyridyl))[5-(4-hydroxyphenyl)isoxazol-3-yl]carboxamide
CID 135693609
5-phenyl-N-(3-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973868
5-(2-methoxyphenyl)-N-pyridin-3-ylisoxazole-3-carboxamide
CID 3236616
(3S,6R)-4-[5-(4-fluorophenyl)isoxazole-3-carbonyl]-3-isobutyl-6-(1H-pyrrol-2-yl)piperazin-2-one
CID 68158217
N-[(3S,4S)-1-cyclohexyl-3-(pyridin-2-ylmethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141677967

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-3-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(6-methyl-3-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid (CID 44602340) is N-(6-methyl-3-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(6-methyl-3-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(6-methyl-3-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid is Cc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(6-methyl-3-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is XRPSEDOVCVWNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2.C2HF3O2/c1-11-7-8-13(10-17-11)18-16(20)14-9-15(21-19-14)12-5-3-2-4-6-12;3-2(4,5)1(6)7/h2-10H,1H3,(H,18,20);(H,6,7).
What are the key properties of N-(6-methyl-3-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid?
N-(6-methyl-3-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 393.32 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-3-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 44602340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).