N-[3-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide

C22H20ClN3O3 — CID 38326510

IUPACN-[3-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C22H20ClN3O3/c23-16-8-6-14(7-9-16)19-13-24-21(29-19)11-10-20(27)25-17-2-1-3-18(12-17)26-22(28)15-4-5-15/h1-3,6-9,12-13,15H,4-5,10-11H2,(H,25,27)(H,26,28)
InChIKeyBBKRYVLWDLFQDG-UHFFFAOYSA-N
MW409.87 g/mol
LogP4.91
Rot. Bonds7

About N-[3-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide

N-[3-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide (PubChem CID 38326510) has the molecular formula C22H20ClN3O3 and a molecular weight of 409.87 g/mol. Its IUPAC name is N-[3-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide
PubChem CID38326510
Molecular FormulaC22H20ClN3O3
Molecular Weight409.87 g/mol
Exact Mass409.12
IUPAC NameN-[3-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C22H20ClN3O3/c23-16-8-6-14(7-9-16)19-13-24-21(29-19)11-10-20(27)25-17-2-1-3-18(12-17)26-22(28)15-4-5-15/h1-3,6-9,12-13,15H,4-5,10-11H2,(H,25,27)(H,26,28)
InChIKeyBBKRYVLWDLFQDG-UHFFFAOYSA-N
XLogP4.91
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 16601221
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(1,3-dithian-2-yl)phenyl]propanamide
CID 26129086
N-(3-acetamidophenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 17422468
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 16593798
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide
CID 55890052
N-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide
CID 26059317
1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 18089162
N-(3-chloro-4-methoxyphenyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591918
cis-(1S,3R)-3-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]cyclopentane-1-carboxylic acid
CID 120675943
N-(3-bromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590292
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methylpropanamide
CID 60549809

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide (CID 38326510) is N-[3-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide is O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is BBKRYVLWDLFQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O3/c23-16-8-6-14(7-9-16)19-13-24-21(29-19)11-10-20(27)25-17-2-1-3-18(12-17)26-22(28)15-4-5-15/h1-3,6-9,12-13,15H,4-5,10-11H2,(H,25,27)(H,26,28).
What are the key properties of N-[3-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide?
N-[3-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 409.87 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 38326510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).