5-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-3-methyl-1,3-benzoxazol-2-one

C18H16FN3O3 — CID 75377357

IUPAC5-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2ccc(NC3CCN(c4ccccc4F)C3=O)cc21
InChIInChI=1S/C18H16FN3O3/c1-21-15-10-11(6-7-16(15)25-18(21)24)20-13-8-9-22(17(13)23)14-5-3-2-4-12(14)19/h2-7,10,13,20H,8-9H2,1H3
InChIKeyRJLYNVGXUYEQQN-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.49
Rot. Bonds3

About 5-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-3-methyl-1,3-benzoxazol-2-one

5-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 75377357) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 5-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-3-methyl-1,3-benzoxazol-2-one
PubChem CID75377357
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name5-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2ccc(NC3CCN(c4ccccc4F)C3=O)cc21
InChIInChI=1S/C18H16FN3O3/c1-21-15-10-11(6-7-16(15)25-18(21)24)20-13-8-9-22(17(13)23)14-5-3-2-4-12(14)19/h2-7,10,13,20H,8-9H2,1H3
InChIKeyRJLYNVGXUYEQQN-UHFFFAOYSA-N
XLogP2.49
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 5-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-3-methyl-1,3-benzoxazol-2-one (CID 75377357) is 5-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2ccc(NC3CCN(c4ccccc4F)C3=O)cc21.
What is the InChIKey of 5-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is RJLYNVGXUYEQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-21-15-10-11(6-7-16(15)25-18(21)24)20-13-8-9-22(17(13)23)14-5-3-2-4-12(14)19/h2-7,10,13,20H,8-9H2,1H3.
What are the key properties of 5-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-3-methyl-1,3-benzoxazol-2-one?
5-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 341.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 75377357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).