N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C22H23N7O2S — CID 55609154

IUPACN-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCSc1nnnn1-c1cccc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)c1
InChIInChI=1S/C22H23N7O2S/c1-14(2)15-7-9-16(10-8-15)21-24-20(31-26-21)12-11-19(30)23-17-5-4-6-18(13-17)29-22(32-3)25-27-28-29/h4-10,13-14H,11-12H2,1-3H3,(H,23,30)
InChIKeyDSFUJTCRJVCMNL-UHFFFAOYSA-N
MW449.54 g/mol
LogP4.13
Rot. Bonds8

About N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 55609154) has the molecular formula C22H23N7O2S and a molecular weight of 449.54 g/mol. Its IUPAC name is N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID55609154
Molecular FormulaC22H23N7O2S
Molecular Weight449.54 g/mol
Exact Mass449.16
IUPAC NameN-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCSc1nnnn1-c1cccc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)c1
InChIInChI=1S/C22H23N7O2S/c1-14(2)15-7-9-16(10-8-15)21-24-20(31-26-21)12-11-19(30)23-17-5-4-6-18(13-17)29-22(32-3)25-27-28-29/h4-10,13-14H,11-12H2,1-3H3,(H,23,30)
InChIKeyDSFUJTCRJVCMNL-UHFFFAOYSA-N
XLogP4.13
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 100762308
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-thiophen-2-ylpropanamide
CID 38682016
N-(2,6-diethylphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31078421
N-[3-(1,3-dithian-2-yl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 35828015
N-(4-acetamido-3-chlorophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18209688
2-(2-chlorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
CID 38681198
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 95990367
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 55608809
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide
CID 31113619
N-(3-ethoxypropyl)-3-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
CID 55801586
N-(5-amino-2-methylphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 120568275
2-(2-chloro-6-fluorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
CID 38679864

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 55609154) is N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CSc1nnnn1-c1cccc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)c1.
What is the InChIKey of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is DSFUJTCRJVCMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2S/c1-14(2)15-7-9-16(10-8-15)21-24-20(31-26-21)12-11-19(30)23-17-5-4-6-18(13-17)29-22(32-3)25-27-28-29/h4-10,13-14H,11-12H2,1-3H3,(H,23,30).
What are the key properties of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 449.54 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 55609154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).