N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C21H21N5O3S — CID 31513365

IUPACN-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOc1ccc([C@@H](NC(=O)CCc2nc(-c3cccs3)no2)c2nccn2C)cc1
InChIInChI=1S/C21H21N5O3S/c1-26-12-11-22-21(26)19(14-5-7-15(28-2)8-6-14)23-17(27)9-10-18-24-20(25-29-18)16-4-3-13-30-16/h3-8,11-13,19H,9-10H2,1-2H3,(H,23,27)/t19-/m1/s1
InChIKeyDRZFMZJQVSJGIU-LJQANCHMSA-N
MW423.50 g/mol
LogP3.38
Rot. Bonds8

About N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 31513365) has the molecular formula C21H21N5O3S and a molecular weight of 423.50 g/mol. Its IUPAC name is N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID31513365
Molecular FormulaC21H21N5O3S
Molecular Weight423.50 g/mol
Exact Mass423.14
IUPAC NameN-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOc1ccc([C@@H](NC(=O)CCc2nc(-c3cccs3)no2)c2nccn2C)cc1
InChIInChI=1S/C21H21N5O3S/c1-26-12-11-22-21(26)19(14-5-7-15(28-2)8-6-14)23-17(27)9-10-18-24-20(25-29-18)16-4-3-13-30-16/h3-8,11-13,19H,9-10H2,1-2H3,(H,23,27)/t19-/m1/s1
InChIKeyDRZFMZJQVSJGIU-LJQANCHMSA-N
XLogP3.38
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 42924338
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475
N-[1-(3,4-dichlorophenyl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55415410
4-amino-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide
CID 120564384
N-(1-naphthalen-2-ylethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51231484
N-pentan-2-yl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18089543
N-(3-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 15990412
3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51269269
N-[1-(4-methylphenyl)propyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18090208
N-(2-butoxy-5-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 35363903
N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18269391
2-(4-methoxyphenyl)sulfanyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide
CID 9144239

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 31513365) is N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is COc1ccc([C@@H](NC(=O)CCc2nc(-c3cccs3)no2)c2nccn2C)cc1.
What is the InChIKey of N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is DRZFMZJQVSJGIU-LJQANCHMSA-N. The full InChI is InChI=1S/C21H21N5O3S/c1-26-12-11-22-21(26)19(14-5-7-15(28-2)8-6-14)23-17(27)9-10-18-24-20(25-29-18)16-4-3-13-30-16/h3-8,11-13,19H,9-10H2,1-2H3,(H,23,27)/t19-/m1/s1.
What are the key properties of N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 423.50 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 31513365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).