N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C18H27N5O2 — CID 50983902

IUPACN-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCc1nc(C2CCCCC2)no1
InChIInChI=1S/C18H27N5O2/c1-12-15(13(2)23(3)21-12)9-10-16(24)19-11-17-20-18(22-25-17)14-7-5-4-6-8-14/h14H,4-11H2,1-3H3,(H,19,24)
InChIKeyFXIPPWKSQGYCOK-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.72
Rot. Bonds6

About N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 50983902) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID50983902
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCc1nc(C2CCCCC2)no1
InChIInChI=1S/C18H27N5O2/c1-12-15(13(2)23(3)21-12)9-10-16(24)19-11-17-20-18(22-25-17)14-7-5-4-6-8-14/h14H,4-11H2,1-3H3,(H,19,24)
InChIKeyFXIPPWKSQGYCOK-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 50983902) is N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)NCc1nc(C2CCCCC2)no1.
What is the InChIKey of N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is FXIPPWKSQGYCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-12-15(13(2)23(3)21-12)9-10-16(24)19-11-17-20-18(22-25-17)14-7-5-4-6-8-14/h14H,4-11H2,1-3H3,(H,19,24).
What are the key properties of N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 345.45 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 50983902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).