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

C19H25N3O2 — CID 96548701

IUPAC3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]propanamide
SMILESCC(C)c1noc(CCC(=O)N[C@H]2CCCCc3ccccc32)n1
InChIInChI=1S/C19H25N3O2/c1-13(2)19-21-18(24-22-19)12-11-17(23)20-16-10-6-4-8-14-7-3-5-9-15(14)16/h3,5,7,9,13,16H,4,6,8,10-12H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeyMOKYYAFQPCCXEK-INIZCTEOSA-N
MW327.43 g/mol
LogP3.71
Rot. Bonds5

About 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

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 (PubChem CID 96548701) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]propanamide
PubChem CID96548701
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]propanamide
SMILESCC(C)c1noc(CCC(=O)N[C@H]2CCCCc3ccccc32)n1
InChIInChI=1S/C19H25N3O2/c1-13(2)19-21-18(24-22-19)12-11-17(23)20-16-10-6-4-8-14-7-3-5-9-15(14)16/h3,5,7,9,13,16H,4,6,8,10-12H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeyMOKYYAFQPCCXEK-INIZCTEOSA-N
XLogP3.71
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39547754
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
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
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
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
3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43915646
3-(3,4-dimethylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 100683602
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 94867360
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 29352664
3-(4-tert-butylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28578102

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1noc(CCC(=O)N[C@H]2CCCCc3ccccc32)n1.
What is the InChIKey of 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?
The InChIKey is MOKYYAFQPCCXEK-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13(2)19-21-18(24-22-19)12-11-17(23)20-16-10-6-4-8-14-7-3-5-9-15(14)16/h3,5,7,9,13,16H,4,6,8,10-12H2,1-2H3,(H,20,23)/t16-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 327.43 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 96548701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).