3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide

C18H23N3O3 — CID 38585723

IUPAC3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
SMILESCC(C)(C)c1noc(CCC(=O)NC[C@H]2Cc3ccccc3O2)n1
InChIInChI=1S/C18H23N3O3/c1-18(2,3)17-20-16(24-21-17)9-8-15(22)19-11-13-10-12-6-4-5-7-14(12)23-13/h4-7,13H,8-11H2,1-3H3,(H,19,22)/t13-/m1/s1
InChIKeyDYKVKMQBRMLYAQ-CYBMUJFWSA-N
MW329.40 g/mol
LogP2.42
Rot. Bonds5

About 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide (PubChem CID 38585723) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
PubChem CID38585723
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
SMILESCC(C)(C)c1noc(CCC(=O)NC[C@H]2Cc3ccccc3O2)n1
InChIInChI=1S/C18H23N3O3/c1-18(2,3)17-20-16(24-21-17)9-8-15(22)19-11-13-10-12-6-4-5-7-14(12)23-13/h4-7,13H,8-11H2,1-3H3,(H,19,22)/t13-/m1/s1
InChIKeyDYKVKMQBRMLYAQ-CYBMUJFWSA-N
XLogP2.42
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 95126904
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 51080867
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 56785681
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide
CID 79192348
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-hydroxypentanamide
CID 79210222
5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanamide
CID 82012136
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 39236485
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]guanidine
CID 111949785
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1,1-diphenylpropan-2-yl)propanamide
CID 46440233
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-diphenylpropanamide
CID 55613114
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide
CID 61003696

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide?
The IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide (CID 38585723) is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide?
The canonical SMILES for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide is CC(C)(C)c1noc(CCC(=O)NC[C@H]2Cc3ccccc3O2)n1.
What is the InChIKey of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide?
The InChIKey is DYKVKMQBRMLYAQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-18(2,3)17-20-16(24-21-17)9-8-15(22)19-11-13-10-12-6-4-5-7-14(12)23-13/h4-7,13H,8-11H2,1-3H3,(H,19,22)/t13-/m1/s1.
What are the key properties of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide?
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide has a molecular weight of 329.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide is sourced from PubChem (CID 38585723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).