3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide

C24H20ClN3O3 — CID 60581261

IUPAC3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
SMILESCc1cc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)ccc1Oc1cccnc1
InChIInChI=1S/C24H20ClN3O3/c1-16-13-19(8-9-21(16)30-20-3-2-12-26-14-20)28-23(29)10-11-24-27-15-22(31-24)17-4-6-18(25)7-5-17/h2-9,12-15H,10-11H2,1H3,(H,28,29)
InChIKeyXSLNTWFBKBACCH-UHFFFAOYSA-N
MW433.90 g/mol
LogP6.06
Rot. Bonds7

About 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide (PubChem CID 60581261) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
PubChem CID60581261
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
SMILESCc1cc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)ccc1Oc1cccnc1
InChIInChI=1S/C24H20ClN3O3/c1-16-13-19(8-9-21(16)30-20-3-2-12-26-14-20)28-23(29)10-11-24-27-15-22(31-24)17-4-6-18(25)7-5-17/h2-9,12-15H,10-11H2,1H3,(H,28,29)
InChIKeyXSLNTWFBKBACCH-UHFFFAOYSA-N
XLogP6.06
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.90
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
CID 60581120
N-(3-chloro-4-methoxyphenyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591918
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390
3-(4-methylphenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
CID 60581343
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
CID 60581294
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]propanamide
CID 47093142
7-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)heptanamide
CID 119864464
N-(3,4-dimethylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784923
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 16593798
N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 60581340
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
CID 60581147
N-[3-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide
CID 38326510

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide?
The IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide (CID 60581261) is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide is Cc1cc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)ccc1Oc1cccnc1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide?
The InChIKey is XSLNTWFBKBACCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-16-13-19(8-9-21(16)30-20-3-2-12-26-14-20)28-23(29)10-11-24-27-15-22(31-24)17-4-6-18(25)7-5-17/h2-9,12-15H,10-11H2,1H3,(H,28,29).
What are the key properties of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide?
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide has a molecular weight of 433.90 g/mol, XLogP of 6.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide is sourced from PubChem (CID 60581261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).