3-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide

C19H25FN2O3 — CID 45190212

IUPAC3-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCCN(CC1CCCO1)C(=O)C1CC(Cc2ccc(F)cc2)=NO1
InChIInChI=1S/C19H25FN2O3/c1-2-9-22(13-17-4-3-10-24-17)19(23)18-12-16(21-25-18)11-14-5-7-15(20)8-6-14/h5-8,17-18H,2-4,9-13H2,1H3
InChIKeyROKYHRNSKFBNAC-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.93
Rot. Bonds7

About 3-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide

3-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 45190212) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID45190212
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name3-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCCN(CC1CCCO1)C(=O)C1CC(Cc2ccc(F)cc2)=NO1
InChIInChI=1S/C19H25FN2O3/c1-2-9-22(13-17-4-3-10-24-17)19(23)18-12-16(21-25-18)11-14-5-7-15(20)8-6-14/h5-8,17-18H,2-4,9-13H2,1H3
InChIKeyROKYHRNSKFBNAC-UHFFFAOYSA-N
XLogP2.93
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 45190212) is 3-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide is CCCN(CC1CCCO1)C(=O)C1CC(Cc2ccc(F)cc2)=NO1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is ROKYHRNSKFBNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-2-9-22(13-17-4-3-10-24-17)19(23)18-12-16(21-25-18)11-14-5-7-15(20)8-6-14/h5-8,17-18H,2-4,9-13H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 45190212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).