N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide

C22H18ClFN4O2 — CID 16600622

IUPACN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccnn1Cc1ccccc1Cl
InChIInChI=1S/C22H18ClFN4O2/c23-17-7-3-1-5-15(17)14-28-20(11-12-26-28)27-21(29)9-10-22-25-13-19(30-22)16-6-2-4-8-18(16)24/h1-8,11-13H,9-10,14H2,(H,27,29)
InChIKeyXJARBIICQMEARO-UHFFFAOYSA-N
MW424.86 g/mol
LogP4.95
Rot. Bonds7

About N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 16600622) has the molecular formula C22H18ClFN4O2 and a molecular weight of 424.86 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID16600622
Molecular FormulaC22H18ClFN4O2
Molecular Weight424.86 g/mol
Exact Mass424.11
IUPAC NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccnn1Cc1ccccc1Cl
InChIInChI=1S/C22H18ClFN4O2/c23-17-7-3-1-5-15(17)14-28-20(11-12-26-28)27-21(29)9-10-22-25-13-19(30-22)16-6-2-4-8-18(16)24/h1-8,11-13H,9-10,14H2,(H,27,29)
InChIKeyXJARBIICQMEARO-UHFFFAOYSA-N
XLogP4.95
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.86
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16600619
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
CID 55778400
N-(2-benzylpyrazol-3-yl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 29492909
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 16601738
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 18152741
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 30037469
N-(2-bromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590286
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluorophenyl)propanamide
CID 16583617
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 38740723
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]propanamide
CID 30175942
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16597484
N-cyclopropyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18136486

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 16600622) is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide is O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccnn1Cc1ccccc1Cl.
What is the InChIKey of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is XJARBIICQMEARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O2/c23-17-7-3-1-5-15(17)14-28-20(11-12-26-28)27-21(29)9-10-22-25-13-19(30-22)16-6-2-4-8-18(16)24/h1-8,11-13H,9-10,14H2,(H,27,29).
What are the key properties of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 424.86 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 16600622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).