3-[2-[[2-(3-chlorophenyl)-1,5-dihydropyrazol-5-yl]oxymethyl]phenyl]-1,3-oxazol-2-one

C19H16ClN3O3 — CID 141300271

IUPAC3-[2-[[2-(3-chlorophenyl)-1,5-dihydropyrazol-5-yl]oxymethyl]phenyl]-1,3-oxazol-2-one
SMILESO=c1occn1-c1ccccc1COC1C=CN(c2cccc(Cl)c2)N1
InChIInChI=1S/C19H16ClN3O3/c20-15-5-3-6-16(12-15)23-9-8-18(21-23)26-13-14-4-1-2-7-17(14)22-10-11-25-19(22)24/h1-12,18,21H,13H2
InChIKeySOABMWKRWVRPGT-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.47
Rot. Bonds5

About 3-[2-[[2-(3-chlorophenyl)-1,5-dihydropyrazol-5-yl]oxymethyl]phenyl]-1,3-oxazol-2-one

3-[2-[[2-(3-chlorophenyl)-1,5-dihydropyrazol-5-yl]oxymethyl]phenyl]-1,3-oxazol-2-one (PubChem CID 141300271) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is 3-[2-[[2-(3-chlorophenyl)-1,5-dihydropyrazol-5-yl]oxymethyl]phenyl]-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-[2-[[2-(3-chlorophenyl)-1,5-dihydropyrazol-5-yl]oxymethyl]phenyl]-1,3-oxazol-2-one
PubChem CID141300271
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Name3-[2-[[2-(3-chlorophenyl)-1,5-dihydropyrazol-5-yl]oxymethyl]phenyl]-1,3-oxazol-2-one
SMILESO=c1occn1-c1ccccc1COC1C=CN(c2cccc(Cl)c2)N1
InChIInChI=1S/C19H16ClN3O3/c20-15-5-3-6-16(12-15)23-9-8-18(21-23)26-13-14-4-1-2-7-17(14)22-10-11-25-19(22)24/h1-12,18,21H,13H2
InChIKeySOABMWKRWVRPGT-UHFFFAOYSA-N
XLogP3.47
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2-(3-chlorophenyl)-1,5-dihydropyrazol-5-yl]oxymethyl]phenyl]-1,3-oxazol-2-one?
The IUPAC name of 3-[2-[[2-(3-chlorophenyl)-1,5-dihydropyrazol-5-yl]oxymethyl]phenyl]-1,3-oxazol-2-one (CID 141300271) is 3-[2-[[2-(3-chlorophenyl)-1,5-dihydropyrazol-5-yl]oxymethyl]phenyl]-1,3-oxazol-2-one.
What is the SMILES notation for 3-[2-[[2-(3-chlorophenyl)-1,5-dihydropyrazol-5-yl]oxymethyl]phenyl]-1,3-oxazol-2-one?
The canonical SMILES for 3-[2-[[2-(3-chlorophenyl)-1,5-dihydropyrazol-5-yl]oxymethyl]phenyl]-1,3-oxazol-2-one is O=c1occn1-c1ccccc1COC1C=CN(c2cccc(Cl)c2)N1.
What is the InChIKey of 3-[2-[[2-(3-chlorophenyl)-1,5-dihydropyrazol-5-yl]oxymethyl]phenyl]-1,3-oxazol-2-one?
The InChIKey is SOABMWKRWVRPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c20-15-5-3-6-16(12-15)23-9-8-18(21-23)26-13-14-4-1-2-7-17(14)22-10-11-25-19(22)24/h1-12,18,21H,13H2.
What are the key properties of 3-[2-[[2-(3-chlorophenyl)-1,5-dihydropyrazol-5-yl]oxymethyl]phenyl]-1,3-oxazol-2-one?
3-[2-[[2-(3-chlorophenyl)-1,5-dihydropyrazol-5-yl]oxymethyl]phenyl]-1,3-oxazol-2-one has a molecular weight of 369.81 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2-(3-chlorophenyl)-1,5-dihydropyrazol-5-yl]oxymethyl]phenyl]-1,3-oxazol-2-one is sourced from PubChem (CID 141300271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).