N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide

C20H19FN4O2 — CID 176715014

IUPACN-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
SMILESO=C(NC1CCc2c1cnn2-c1ccccc1F)c1onc2c1CCCC2
InChIInChI=1S/C20H19FN4O2/c21-14-6-2-4-8-18(14)25-17-10-9-15(13(17)11-22-25)23-20(26)19-12-5-1-3-7-16(12)24-27-19/h2,4,6,8,11,15H,1,3,5,7,9-10H2,(H,23,26)
InChIKeyMXEWHZWTAGESLR-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.30
Rot. Bonds3

About N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide

N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide (PubChem CID 176715014) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
PubChem CID176715014
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
SMILESO=C(NC1CCc2c1cnn2-c1ccccc1F)c1onc2c1CCCC2
InChIInChI=1S/C20H19FN4O2/c21-14-6-2-4-8-18(14)25-17-10-9-15(13(17)11-22-25)23-20(26)19-12-5-1-3-7-16(12)24-27-19/h2,4,6,8,11,15H,1,3,5,7,9-10H2,(H,23,26)
InChIKeyMXEWHZWTAGESLR-UHFFFAOYSA-N
XLogP3.30
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide (CID 176715014) is N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide is O=C(NC1CCc2c1cnn2-c1ccccc1F)c1onc2c1CCCC2.
What is the InChIKey of N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
The InChIKey is MXEWHZWTAGESLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-14-6-2-4-8-18(14)25-17-10-9-15(13(17)11-22-25)23-20(26)19-12-5-1-3-7-16(12)24-27-19/h2,4,6,8,11,15H,1,3,5,7,9-10H2,(H,23,26).
What are the key properties of N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide is sourced from PubChem (CID 176715014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).