3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide

C19H27N3O3 — CID 51958804

IUPAC3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide
SMILESCc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CCc1nc(C(C)C)no1
InChIInChI=1S/C19H27N3O3/c1-11(2)18-21-17(25-22-18)7-6-16(23)20-14-9-19(4,5)10-15-13(14)8-12(3)24-15/h8,11,14H,6-7,9-10H2,1-5H3,(H,20,23)/t14-/m1/s1
InChIKeyYILIQYJPRFPNCW-CQSZACIVSA-N
MW345.44 g/mol
LogP3.86
Rot. Bonds5

About 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide

3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide (PubChem CID 51958804) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide.

Molecular Properties

Compound Name3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide
PubChem CID51958804
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide
SMILESCc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CCc1nc(C(C)C)no1
InChIInChI=1S/C19H27N3O3/c1-11(2)18-21-17(25-22-18)7-6-16(23)20-14-9-19(4,5)10-15-13(14)8-12(3)24-15/h8,11,14H,6-7,9-10H2,1-5H3,(H,20,23)/t14-/m1/s1
InChIKeyYILIQYJPRFPNCW-CQSZACIVSA-N
XLogP3.86
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethylsulfanyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)propanamide
CID 47248732
5-chloro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide
CID 43701687
3-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)butanamide
CID 64683856
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39547754
2-[2-oxo-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]ethyl]sulfanylacetic acid
CID 104569405
3-methyl-2-(3-methylbutanoylamino)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)butanamide
CID 55844841
N-(1-adamantyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39877535
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]propanamide
CID 96548701
5,7-dimethyl-6-[3-oxo-3-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55844840
N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 38017187
1-(1,3,4-thiadiazol-2-yl)-3-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]urea
CID 51952021
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(7S)-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]propanamide
CID 97346838

Frequently Asked Questions

What is the IUPAC name of 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide?
The IUPAC name of 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide (CID 51958804) is 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide.
What is the SMILES notation for 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide?
The canonical SMILES for 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide is Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CCc1nc(C(C)C)no1.
What is the InChIKey of 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide?
The InChIKey is YILIQYJPRFPNCW-CQSZACIVSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-11(2)18-21-17(25-22-18)7-6-16(23)20-14-9-19(4,5)10-15-13(14)8-12(3)24-15/h8,11,14H,6-7,9-10H2,1-5H3,(H,20,23)/t14-/m1/s1.
What are the key properties of 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide?
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide has a molecular weight of 345.44 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide is sourced from PubChem (CID 51958804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).