2-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl-cyclopropylamino]-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]acetamide

C23H36N4O2 — CID 97246188

IUPAC2-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl-cyclopropylamino]-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]acetamide
SMILESC[C@@H](C1CC1)N(C(=O)CN(Cc1nc(C2CCCCCC2)no1)C1CC1)C1CC1
InChIInChI=1S/C23H36N4O2/c1-16(17-8-9-17)27(20-12-13-20)22(28)15-26(19-10-11-19)14-21-24-23(25-29-21)18-6-4-2-3-5-7-18/h16-20H,2-15H2,1H3/t16-/m0/s1
InChIKeyQWAULVWOQBHZIY-INIZCTEOSA-N
MW400.57 g/mol
LogP4.26
Rot. Bonds9

About 2-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl-cyclopropylamino]-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]acetamide

2-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl-cyclopropylamino]-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]acetamide (PubChem CID 97246188) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is 2-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl-cyclopropylamino]-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]acetamide.

Molecular Properties

Compound Name2-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl-cyclopropylamino]-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]acetamide
PubChem CID97246188
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC Name2-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl-cyclopropylamino]-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]acetamide
SMILESC[C@@H](C1CC1)N(C(=O)CN(Cc1nc(C2CCCCCC2)no1)C1CC1)C1CC1
InChIInChI=1S/C23H36N4O2/c1-16(17-8-9-17)27(20-12-13-20)22(28)15-26(19-10-11-19)14-21-24-23(25-29-21)18-6-4-2-3-5-7-18/h16-20H,2-15H2,1H3/t16-/m0/s1
InChIKeyQWAULVWOQBHZIY-INIZCTEOSA-N
XLogP4.26
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylcyclohexanamine
CID 47025097
2-[cyclopropyl-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid
CID 119202492
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63345119
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 86923328
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylbutan-2-yl)cyclopropanamine
CID 47027367
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol
CID 80611110
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-ol
CID 63345168
3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one
CID 55202191
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 63346866
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 65390508
2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid
CID 64982392
1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 65425182

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl-cyclopropylamino]-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]acetamide?
The IUPAC name of 2-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl-cyclopropylamino]-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]acetamide (CID 97246188) is 2-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl-cyclopropylamino]-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]acetamide.
What is the SMILES notation for 2-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl-cyclopropylamino]-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]acetamide?
The canonical SMILES for 2-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl-cyclopropylamino]-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]acetamide is C[C@@H](C1CC1)N(C(=O)CN(Cc1nc(C2CCCCCC2)no1)C1CC1)C1CC1.
What is the InChIKey of 2-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl-cyclopropylamino]-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]acetamide?
The InChIKey is QWAULVWOQBHZIY-INIZCTEOSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-16(17-8-9-17)27(20-12-13-20)22(28)15-26(19-10-11-19)14-21-24-23(25-29-21)18-6-4-2-3-5-7-18/h16-20H,2-15H2,1H3/t16-/m0/s1.
What are the key properties of 2-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl-cyclopropylamino]-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]acetamide?
2-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl-cyclopropylamino]-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]acetamide has a molecular weight of 400.57 g/mol, XLogP of 4.26, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl-cyclopropylamino]-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]acetamide is sourced from PubChem (CID 97246188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).