5-cyclopropyl-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-oxazole-4-carboxamide

C18H18FN3O3 — CID 45200938

IUPAC5-cyclopropyl-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CC(=O)N(Cc2cccc(F)c2)C1)c1ncoc1C1CC1
InChIInChI=1S/C18H18FN3O3/c19-13-3-1-2-11(6-13)8-22-9-14(7-15(22)23)21-18(24)16-17(12-4-5-12)25-10-20-16/h1-3,6,10,12,14H,4-5,7-9H2,(H,21,24)
InChIKeyQBTHUERUKUIYMH-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.22
Rot. Bonds5

About 5-cyclopropyl-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-oxazole-4-carboxamide

5-cyclopropyl-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-oxazole-4-carboxamide (PubChem CID 45200938) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
PubChem CID45200938
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name5-cyclopropyl-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CC(=O)N(Cc2cccc(F)c2)C1)c1ncoc1C1CC1
InChIInChI=1S/C18H18FN3O3/c19-13-3-1-2-11(6-13)8-22-9-14(7-15(22)23)21-18(24)16-17(12-4-5-12)25-10-20-16/h1-3,6,10,12,14H,4-5,7-9H2,(H,21,24)
InChIKeyQBTHUERUKUIYMH-UHFFFAOYSA-N
XLogP2.22
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-oxazole-4-carboxamide (CID 45200938) is 5-cyclopropyl-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-oxazole-4-carboxamide is O=C(NC1CC(=O)N(Cc2cccc(F)c2)C1)c1ncoc1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is QBTHUERUKUIYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c19-13-3-1-2-11(6-13)8-22-9-14(7-15(22)23)21-18(24)16-17(12-4-5-12)25-10-20-16/h1-3,6,10,12,14H,4-5,7-9H2,(H,21,24).
What are the key properties of 5-cyclopropyl-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-oxazole-4-carboxamide?
5-cyclopropyl-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 45200938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).