N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide

C18H16F2N4O2 — CID 45232548

IUPACN-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CCCc2c1cnn2-c1cc(F)cc(F)c1
InChIInChI=1S/C18H16F2N4O2/c1-10-17(26-9-21-10)18(25)23-15-3-2-4-16-14(15)8-22-24(16)13-6-11(19)5-12(20)7-13/h5-9,15H,2-4H2,1H3,(H,23,25)
InChIKeyXTMKLIMYBZNVDH-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.25
Rot. Bonds3

About N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide

N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 45232548) has the molecular formula C18H16F2N4O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID45232548
Molecular FormulaC18H16F2N4O2
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC NameN-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CCCc2c1cnn2-c1cc(F)cc(F)c1
InChIInChI=1S/C18H16F2N4O2/c1-10-17(26-9-21-10)18(25)23-15-3-2-4-16-14(15)8-22-24(16)13-6-11(19)5-12(20)7-13/h5-9,15H,2-4H2,1H3,(H,23,25)
InChIKeyXTMKLIMYBZNVDH-UHFFFAOYSA-N
XLogP3.25
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 24791110
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CID 24793434
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CID 24793900
CID 24793900
CID 124043607
CID 124043607
CID 45229079
CID 45229079
CID 154598037
CID 154598037
CID 154598154
CID 154598154
CID 177051301
CID 177051301
CID 91909747
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CID 50960826
CID 50960826

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide (CID 45232548) is N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NC1CCCc2c1cnn2-c1cc(F)cc(F)c1.
What is the InChIKey of N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is XTMKLIMYBZNVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2/c1-10-17(26-9-21-10)18(25)23-15-3-2-4-16-14(15)8-22-24(16)13-6-11(19)5-12(20)7-13/h5-9,15H,2-4H2,1H3,(H,23,25).
What are the key properties of N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide?
N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 358.35 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 45232548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).