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

C18H27N5O2 — CID 97346838

IUPAC3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(7S)-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]propanamide
SMILESCC(C)c1noc(CCC(=O)N[C@H]2CCCc3cn(C(C)C)nc32)n1
InChIInChI=1S/C18H27N5O2/c1-11(2)18-20-16(25-22-18)9-8-15(24)19-14-7-5-6-13-10-23(12(3)4)21-17(13)14/h10-12,14H,5-9H2,1-4H3,(H,19,24)/t14-/m0/s1
InChIKeyFYTGYPVABNNORW-AWEZNQCLSA-N
MW345.45 g/mol
LogP3.10
Rot. Bonds6

About 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

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 (PubChem CID 97346838) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(7S)-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]propanamide
PubChem CID97346838
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(7S)-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]propanamide
SMILESCC(C)c1noc(CCC(=O)N[C@H]2CCCc3cn(C(C)C)nc32)n1
InChIInChI=1S/C18H27N5O2/c1-11(2)18-20-16(25-22-18)9-8-15(24)19-14-7-5-6-13-10-23(12(3)4)21-17(13)14/h10-12,14H,5-9H2,1-4H3,(H,19,24)/t14-/m0/s1
InChIKeyFYTGYPVABNNORW-AWEZNQCLSA-N
XLogP3.10
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
2-(furan-2-yl)-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetamide
CID 139001083
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
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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
N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 38017187
N-(2-methylpiperidin-3-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
CID 120575981
1-(4-tert-butylphenyl)-3-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)urea
CID 166205955
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
N-cyclohexylsulfonyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 75418435
1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 51079863
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119511913
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1noc(CCC(=O)N[C@H]2CCCc3cn(C(C)C)nc32)n1.
What is the InChIKey of 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?
The InChIKey is FYTGYPVABNNORW-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-11(2)18-20-16(25-22-18)9-8-15(24)19-14-7-5-6-13-10-23(12(3)4)21-17(13)14/h10-12,14H,5-9H2,1-4H3,(H,19,24)/t14-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 345.45 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 97346838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).