N-[(4-chlorophenyl)-cyclopropylmethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

C19H18ClN3O2S — CID 134046785

IUPACN-[(4-chlorophenyl)-cyclopropylmethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESO=C(CCc1nnc(-c2ccsc2)o1)NC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C19H18ClN3O2S/c20-15-5-3-13(4-6-15)18(12-1-2-12)21-16(24)7-8-17-22-23-19(25-17)14-9-10-26-11-14/h3-6,9-12,18H,1-2,7-8H2,(H,21,24)
InChIKeyPHPVDXYFSQOIRZ-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.65
Rot. Bonds7

About N-[(4-chlorophenyl)-cyclopropylmethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

N-[(4-chlorophenyl)-cyclopropylmethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 134046785) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclopropylmethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclopropylmethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID134046785
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC NameN-[(4-chlorophenyl)-cyclopropylmethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESO=C(CCc1nnc(-c2ccsc2)o1)NC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C19H18ClN3O2S/c20-15-5-3-13(4-6-15)18(12-1-2-12)21-16(24)7-8-17-22-23-19(25-17)14-9-10-26-11-14/h3-6,9-12,18H,1-2,7-8H2,(H,21,24)
InChIKeyPHPVDXYFSQOIRZ-UHFFFAOYSA-N
XLogP4.65
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]acetic acid
CID 119213403
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CID 95280188
N-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 51886384
N-[4-[1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 55584877
N-(4-propan-2-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38012862
N-[cyclopropyl-(4-methylphenyl)methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 24582544
N-[1-(1-adamantyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55537188
N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 42943191
N-[phenyl(pyridin-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 134046683
3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]propanamide
CID 45206760
N-[(2R)-3-hydroxy-3-prop-2-enylhex-5-en-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 42243962
N-[2-(4-chlorophenyl)ethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53162041

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 134046785) is N-[(4-chlorophenyl)-cyclopropylmethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclopropylmethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-[(4-chlorophenyl)-cyclopropylmethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is O=C(CCc1nnc(-c2ccsc2)o1)NC(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of N-[(4-chlorophenyl)-cyclopropylmethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is PHPVDXYFSQOIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c20-15-5-3-13(4-6-15)18(12-1-2-12)21-16(24)7-8-17-22-23-19(25-17)14-9-10-26-11-14/h3-6,9-12,18H,1-2,7-8H2,(H,21,24).
What are the key properties of N-[(4-chlorophenyl)-cyclopropylmethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-[(4-chlorophenyl)-cyclopropylmethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 387.89 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-cyclopropylmethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 134046785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).