3-(2-fluorophenyl)-5-methyl-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide

C21H28FN3O2 — CID 91957305

IUPAC3-(2-fluorophenyl)-5-methyl-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide
SMILESCC1(C(=O)NCC2(CN3CCCCC3)CC2)CC(c2ccccc2F)=NO1
InChIInChI=1S/C21H28FN3O2/c1-20(13-18(24-27-20)16-7-3-4-8-17(16)22)19(26)23-14-21(9-10-21)15-25-11-5-2-6-12-25/h3-4,7-8H,2,5-6,9-15H2,1H3,(H,23,26)
InChIKeyQPFAOPUANRTXOI-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.09
Rot. Bonds6

About 3-(2-fluorophenyl)-5-methyl-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide

3-(2-fluorophenyl)-5-methyl-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide (PubChem CID 91957305) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-methyl-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-methyl-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide
PubChem CID91957305
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC Name3-(2-fluorophenyl)-5-methyl-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide
SMILESCC1(C(=O)NCC2(CN3CCCCC3)CC2)CC(c2ccccc2F)=NO1
InChIInChI=1S/C21H28FN3O2/c1-20(13-18(24-27-20)16-7-3-4-8-17(16)22)19(26)23-14-21(9-10-21)15-25-11-5-2-6-12-25/h3-4,7-8H,2,5-6,9-15H2,1H3,(H,23,26)
InChIKeyQPFAOPUANRTXOI-UHFFFAOYSA-N
XLogP3.09
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-methyl-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-5-methyl-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide (CID 91957305) is 3-(2-fluorophenyl)-5-methyl-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-5-methyl-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-5-methyl-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide is CC1(C(=O)NCC2(CN3CCCCC3)CC2)CC(c2ccccc2F)=NO1.
What is the InChIKey of 3-(2-fluorophenyl)-5-methyl-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide?
The InChIKey is QPFAOPUANRTXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O2/c1-20(13-18(24-27-20)16-7-3-4-8-17(16)22)19(26)23-14-21(9-10-21)15-25-11-5-2-6-12-25/h3-4,7-8H,2,5-6,9-15H2,1H3,(H,23,26).
What are the key properties of 3-(2-fluorophenyl)-5-methyl-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide?
3-(2-fluorophenyl)-5-methyl-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide has a molecular weight of 373.47 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-methyl-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 91957305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).