3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-naphthalen-2-ylpropanamide

C19H21N3O2 — CID 39887942

IUPAC3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-naphthalen-2-ylpropanamide
SMILESCC(C)(C)c1noc(CCC(=O)Nc2ccc3ccccc3c2)n1
InChIInChI=1S/C19H21N3O2/c1-19(2,3)18-21-17(24-22-18)11-10-16(23)20-15-9-8-13-6-4-5-7-14(13)12-15/h4-9,12H,10-11H2,1-3H3,(H,20,23)
InChIKeyABMVHTSSQQIHFG-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.09
Rot. Bonds4

About 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-naphthalen-2-ylpropanamide

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-naphthalen-2-ylpropanamide (PubChem CID 39887942) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-naphthalen-2-ylpropanamide
PubChem CID39887942
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-naphthalen-2-ylpropanamide
SMILESCC(C)(C)c1noc(CCC(=O)Nc2ccc3ccccc3c2)n1
InChIInChI=1S/C19H21N3O2/c1-19(2,3)18-21-17(24-22-18)11-10-16(23)20-15-9-8-13-6-4-5-7-14(13)12-15/h4-9,12H,10-11H2,1-3H3,(H,20,23)
InChIKeyABMVHTSSQQIHFG-UHFFFAOYSA-N
XLogP4.09
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1H-indazol-6-yl)propanamide
CID 47030832
N-naphthalen-2-yl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9191876
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(6-methoxy-3-pyridinyl)propanamide
CID 39898339
N-(3-bromophenyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
CID 39886363
N-[3-(4-bromoanilino)-3-oxopropyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide
CID 55952741
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3,5-difluoro-4-methoxyphenyl)propanamide
CID 87031670
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 87046869
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide
CID 51949351
N-(4-tert-butylphenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46446507
3-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]propanoic acid
CID 119252322
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]butanamide
CID 56506786
N-(4-tert-butylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9192064

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-naphthalen-2-ylpropanamide?
The IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-naphthalen-2-ylpropanamide (CID 39887942) is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-naphthalen-2-ylpropanamide?
The canonical SMILES for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-naphthalen-2-ylpropanamide is CC(C)(C)c1noc(CCC(=O)Nc2ccc3ccccc3c2)n1.
What is the InChIKey of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-naphthalen-2-ylpropanamide?
The InChIKey is ABMVHTSSQQIHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-19(2,3)18-21-17(24-22-18)11-10-16(23)20-15-9-8-13-6-4-5-7-14(13)12-15/h4-9,12H,10-11H2,1-3H3,(H,20,23).
What are the key properties of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-naphthalen-2-ylpropanamide?
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-naphthalen-2-ylpropanamide has a molecular weight of 323.40 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 39887942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).