N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]-3-oxopropyl]thiophene-3-carboxamide

C20H19ClN4O3S — CID 55375985

IUPACN-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(NCCC(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1)c1ccsc1
InChIInChI=1S/C20H19ClN4O3S/c21-15-3-1-13(2-4-15)20-24-23-17(28-20)11-25(16-5-6-16)18(26)7-9-22-19(27)14-8-10-29-12-14/h1-4,8,10,12,16H,5-7,9,11H2,(H,22,27)
InChIKeyCIVYDXBJIINFDK-UHFFFAOYSA-N
MW430.92 g/mol
LogP3.76
Rot. Bonds8

About N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 55375985) has the molecular formula C20H19ClN4O3S and a molecular weight of 430.92 g/mol. Its IUPAC name is N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID55375985
Molecular FormulaC20H19ClN4O3S
Molecular Weight430.92 g/mol
Exact Mass430.09
IUPAC NameN-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(NCCC(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1)c1ccsc1
InChIInChI=1S/C20H19ClN4O3S/c21-15-3-1-13(2-4-15)20-24-23-17(28-20)11-25(16-5-6-16)18(26)7-9-22-19(27)14-8-10-29-12-14/h1-4,8,10,12,16H,5-7,9,11H2,(H,22,27)
InChIKeyCIVYDXBJIINFDK-UHFFFAOYSA-N
XLogP3.76
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.92
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]-3-oxopropyl]thiophene-3-carboxamide with MolForge

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Related Compounds

N-[3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide
CID 134013849
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpyridine-4-carboxamide
CID 17400992
3-[cyclopropyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]propanoic acid
CID 60844519
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1,2-oxazole-3-carboxamide
CID 75372969
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-phenylsulfanylacetamide
CID 51147007
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-(2-ethoxyphenoxy)butanamide
CID 55332893
1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-3-(2-methoxyethyl)thiourea
CID 9094748
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-[(4-chlorobenzoyl)amino]propanoate
CID 30518885
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2,4-difluorobenzamide
CID 8699727
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 8834974
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 16547446
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-propoxyphenoxy)acetamide
CID 55332851

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]-3-oxopropyl]thiophene-3-carboxamide (CID 55375985) is N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]-3-oxopropyl]thiophene-3-carboxamide is O=C(NCCC(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1)c1ccsc1.
What is the InChIKey of N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is CIVYDXBJIINFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3S/c21-15-3-1-13(2-4-15)20-24-23-17(28-20)11-25(16-5-6-16)18(26)7-9-22-19(27)14-8-10-29-12-14/h1-4,8,10,12,16H,5-7,9,11H2,(H,22,27).
What are the key properties of N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 430.92 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 55375985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).