[3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone

C18H16ClFN2O2S — CID 75416202

IUPAC[3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CC(c2ccc(Cl)s2)=NO1)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C18H16ClFN2O2S/c19-17-7-6-16(25-17)13-10-15(24-21-13)18(23)22-8-2-5-14(22)11-3-1-4-12(20)9-11/h1,3-4,6-7,9,14-15H,2,5,8,10H2
InChIKeyNDZMTQRSASWBAW-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.40
Rot. Bonds3

About [3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone

[3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 75416202) has the molecular formula C18H16ClFN2O2S and a molecular weight of 378.86 g/mol. Its IUPAC name is [3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
PubChem CID75416202
Molecular FormulaC18H16ClFN2O2S
Molecular Weight378.86 g/mol
Exact Mass378.06
IUPAC Name[3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CC(c2ccc(Cl)s2)=NO1)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C18H16ClFN2O2S/c19-17-7-6-16(25-17)13-10-15(24-21-13)18(23)22-8-2-5-14(22)11-3-1-4-12(20)9-11/h1,3-4,6-7,9,14-15H,2,5,8,10H2
InChIKeyNDZMTQRSASWBAW-UHFFFAOYSA-N
XLogP4.40
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone (CID 75416202) is [3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone is O=C(C1CC(c2ccc(Cl)s2)=NO1)N1CCCC1c1cccc(F)c1.
What is the InChIKey of [3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is NDZMTQRSASWBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O2S/c19-17-7-6-16(25-17)13-10-15(24-21-13)18(23)22-8-2-5-14(22)11-3-1-4-12(20)9-11/h1,3-4,6-7,9,14-15H,2,5,8,10H2.
What are the key properties of [3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone?
[3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 378.86 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 75416202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).