N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide

C19H21N3O3S — CID 29102875

IUPACN-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCOc1cccc([C@@H](C)NC(=O)CCc2nnc(-c3ccc(C)s3)o2)c1
InChIInChI=1S/C19H21N3O3S/c1-12-7-8-16(26-12)19-22-21-18(25-19)10-9-17(23)20-13(2)14-5-4-6-15(11-14)24-3/h4-8,11,13H,9-10H2,1-3H3,(H,20,23)/t13-/m1/s1
InChIKeyVEHLZJUBPOJJES-CYBMUJFWSA-N
MW371.46 g/mol
LogP3.93
Rot. Bonds7

About N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide

N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 29102875) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID29102875
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCOc1cccc([C@@H](C)NC(=O)CCc2nnc(-c3ccc(C)s3)o2)c1
InChIInChI=1S/C19H21N3O3S/c1-12-7-8-16(26-12)19-22-21-18(25-19)10-9-17(23)20-13(2)14-5-4-6-15(11-14)24-3/h4-8,11,13H,9-10H2,1-3H3,(H,20,23)/t13-/m1/s1
InChIKeyVEHLZJUBPOJJES-CYBMUJFWSA-N
XLogP3.93
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 46478919
3-(4-methoxyphenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
CID 42563582
N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
CID 40636094
4-(5-methylthiophen-2-yl)-4-oxo-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide
CID 55713603
N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 51886389
3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbutyl)propanamide
CID 110334918
3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(thiophen-3-ylmethyl)propanamide
CID 56858308
3-[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylethyl)propanamide
CID 75767320
N-(3-methoxyphenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335116
N-[1-(2-methoxyphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 43017189
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 87001177
6-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4,4-dimethylhexanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide (CID 29102875) is N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide is COc1cccc([C@@H](C)NC(=O)CCc2nnc(-c3ccc(C)s3)o2)c1.
What is the InChIKey of N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is VEHLZJUBPOJJES-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-12-7-8-16(26-12)19-22-21-18(25-19)10-9-17(23)20-13(2)14-5-4-6-15(11-14)24-3/h4-8,11,13H,9-10H2,1-3H3,(H,20,23)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 371.46 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 29102875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).