2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-propan-2-yl-1,3-oxazole-4-carboxamide

C19H25FN4O2 — CID 42100304

IUPAC2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)N(C)C(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C19H25FN4O2/c1-14(2)22(3)19(25)16-13-26-18(21-16)12-23-8-10-24(11-9-23)17-7-5-4-6-15(17)20/h4-7,13-14H,8-12H2,1-3H3
InChIKeyGDUMPPMIYCKMNR-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.62
Rot. Bonds5

About 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-propan-2-yl-1,3-oxazole-4-carboxamide

2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 42100304) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID42100304
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)N(C)C(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C19H25FN4O2/c1-14(2)22(3)19(25)16-13-26-18(21-16)12-23-8-10-24(11-9-23)17-7-5-4-6-15(17)20/h4-7,13-14H,8-12H2,1-3H3
InChIKeyGDUMPPMIYCKMNR-UHFFFAOYSA-N
XLogP2.62
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-propan-2-yl-1,3-oxazole-4-carboxamide (CID 42100304) is 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-propan-2-yl-1,3-oxazole-4-carboxamide is CC(C)N(C)C(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is GDUMPPMIYCKMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-14(2)22(3)19(25)16-13-26-18(21-16)12-23-8-10-24(11-9-23)17-7-5-4-6-15(17)20/h4-7,13-14H,8-12H2,1-3H3.
What are the key properties of 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-propan-2-yl-1,3-oxazole-4-carboxamide?
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 360.43 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42100304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).