4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide

C19H25N3O2 — CID 95161267

IUPAC4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide
SMILESCCc1noc(CCCC(=O)N[C@@H]2CCCCc3ccccc32)n1
InChIInChI=1S/C19H25N3O2/c1-2-17-21-19(24-22-17)13-7-12-18(23)20-16-11-6-4-9-14-8-3-5-10-15(14)16/h3,5,8,10,16H,2,4,6-7,9,11-13H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyUFPQURFMQJWZTB-MRXNPFEDSA-N
MW327.43 g/mol
LogP3.54
Rot. Bonds6

About 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide

4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide (PubChem CID 95161267) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide.

Molecular Properties

Compound Name4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide
PubChem CID95161267
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide
SMILESCCc1noc(CCCC(=O)N[C@@H]2CCCCc3ccccc32)n1
InChIInChI=1S/C19H25N3O2/c1-2-17-21-19(24-22-17)13-7-12-18(23)20-16-11-6-4-9-14-8-3-5-10-15(14)16/h3,5,8,10,16H,2,4,6-7,9,11-13H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyUFPQURFMQJWZTB-MRXNPFEDSA-N
XLogP3.54
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide with MolForge

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Related Compounds

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
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide
CID 23624795
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 39547105
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 9210789
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 50953070
4-(2-methoxyethoxy)-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide
CID 95293549
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 94811628
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 51101277
4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 54924290
5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 103601650
3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43915646
N-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide
CID 23624796

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide?
The IUPAC name of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide (CID 95161267) is 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide.
What is the SMILES notation for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide?
The canonical SMILES for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide is CCc1noc(CCCC(=O)N[C@@H]2CCCCc3ccccc32)n1.
What is the InChIKey of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide?
The InChIKey is UFPQURFMQJWZTB-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-2-17-21-19(24-22-17)13-7-12-18(23)20-16-11-6-4-9-14-8-3-5-10-15(14)16/h3,5,8,10,16H,2,4,6-7,9,11-13H2,1H3,(H,20,23)/t16-/m1/s1.
What are the key properties of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide?
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide has a molecular weight of 327.43 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide is sourced from PubChem (CID 95161267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).