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

C23H21ClN4O3 — CID 55854482

IUPAC3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1cccc(OCCn2cccn2)c1
InChIInChI=1S/C23H21ClN4O3/c24-20-8-2-1-7-19(20)21-16-25-23(31-21)10-9-22(29)27-17-5-3-6-18(15-17)30-14-13-28-12-4-11-26-28/h1-8,11-12,15-16H,9-10,13-14H2,(H,27,29)
InChIKeyZKNMVPFIIQKFDQ-UHFFFAOYSA-N
MW436.90 g/mol
LogP4.84
Rot. Bonds9

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

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide (PubChem CID 55854482) has the molecular formula C23H21ClN4O3 and a molecular weight of 436.90 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide
PubChem CID55854482
Molecular FormulaC23H21ClN4O3
Molecular Weight436.90 g/mol
Exact Mass436.13
IUPAC Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1cccc(OCCn2cccn2)c1
InChIInChI=1S/C23H21ClN4O3/c24-20-8-2-1-7-19(20)21-16-25-23(31-21)10-9-22(29)27-17-5-3-6-18(15-17)30-14-13-28-12-4-11-26-28/h1-8,11-12,15-16H,9-10,13-14H2,(H,27,29)
InChIKeyZKNMVPFIIQKFDQ-UHFFFAOYSA-N
XLogP4.84
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(2-fluorophenyl)furan-2-yl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide
CID 55767382
3-(5-phenylfuran-2-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide
CID 55767669
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluorophenyl)propanamide
CID 16583617
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenoxypropyl)propanamide
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3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 16599298
N-(2-benzylpyrazol-3-yl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 29492909
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
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3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
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N-[2-(3-chlorophenoxy)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 29480822
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
CID 55778400
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
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3-cyclopentylsulfonyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide?
The IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide (CID 55854482) is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide?
The canonical SMILES for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide is O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1cccc(OCCn2cccn2)c1.
What is the InChIKey of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide?
The InChIKey is ZKNMVPFIIQKFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O3/c24-20-8-2-1-7-19(20)21-16-25-23(31-21)10-9-22(29)27-17-5-3-6-18(15-17)30-14-13-28-12-4-11-26-28/h1-8,11-12,15-16H,9-10,13-14H2,(H,27,29).
What are the key properties of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide?
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide has a molecular weight of 436.90 g/mol, XLogP of 4.84, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide is sourced from PubChem (CID 55854482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).