N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide

C22H20N4O2 — CID 86980187

IUPACN-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
SMILESO=C(CCc1cnn(-c2ccccc2)c1)NCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C22H20N4O2/c27-21(12-11-17-13-25-26(16-17)19-9-5-2-6-10-19)23-15-22-24-14-20(28-22)18-7-3-1-4-8-18/h1-10,13-14,16H,11-12,15H2,(H,23,27)
InChIKeyPRDMGQKFLDKARF-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.78
Rot. Bonds7

About N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide

N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide (PubChem CID 86980187) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
PubChem CID86980187
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
SMILESO=C(CCc1cnn(-c2ccccc2)c1)NCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C22H20N4O2/c27-21(12-11-17-13-25-26(16-17)19-9-5-2-6-10-19)23-15-22-24-14-20(28-22)18-7-3-1-4-8-18/h1-10,13-14,16H,11-12,15H2,(H,23,27)
InChIKeyPRDMGQKFLDKARF-UHFFFAOYSA-N
XLogP3.78
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide
CID 47176259
4-[3-oxo-3-[(1-phenylpyrazol-4-yl)methylamino]propyl]benzoic acid
CID 84589243
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 31544557
N-[(3-aminocyclobutyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 167759352
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 17420754
N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-thiophen-3-ylpropanamide
CID 134000730
3-(2-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 30341574
5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide
CID 43347095
N-[3-(methylamino)propyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119430045
N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 46602126
N'-[2-(2-phenylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide
CID 27568549
3-(5-phenyl-1,3-oxazol-2-yl)-N-propylpropanamide
CID 18135781

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide (CID 86980187) is N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide is O=C(CCc1cnn(-c2ccccc2)c1)NCc1ncc(-c2ccccc2)o1.
What is the InChIKey of N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The InChIKey is PRDMGQKFLDKARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c27-21(12-11-17-13-25-26(16-17)19-9-5-2-6-10-19)23-15-22-24-14-20(28-22)18-7-3-1-4-8-18/h1-10,13-14,16H,11-12,15H2,(H,23,27).
What are the key properties of N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide?
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide has a molecular weight of 372.43 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 86980187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).