cis-(1R,2S)-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]cycloheptane-1-carboxamide

C14H24N4O2 — CID 124864971

IUPACcis-(1R,2S)-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]cycloheptane-1-carboxamide
SMILESCCc1noc([C@H](C)N[C@H]2CCCCC[C@H]2C(N)=O)n1
InChIInChI=1S/C14H24N4O2/c1-3-12-17-14(20-18-12)9(2)16-11-8-6-4-5-7-10(11)13(15)19/h9-11,16H,3-8H2,1-2H3,(H2,15,19)/t9-,10+,11-/m0/s1
InChIKeyNETYIZCHLNVOFQ-AXFHLTTASA-N
MW280.37 g/mol
LogP1.72
Rot. Bonds5

About cis-(1R,2S)-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]cycloheptane-1-carboxamide

cis-(1R,2S)-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]cycloheptane-1-carboxamide (PubChem CID 124864971) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]cycloheptane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]cycloheptane-1-carboxamide
PubChem CID124864971
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Namecis-(1R,2S)-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]cycloheptane-1-carboxamide
SMILESCCc1noc([C@H](C)N[C@H]2CCCCC[C@H]2C(N)=O)n1
InChIInChI=1S/C14H24N4O2/c1-3-12-17-14(20-18-12)9(2)16-11-8-6-4-5-7-10(11)13(15)19/h9-11,16H,3-8H2,1-2H3,(H2,15,19)/t9-,10+,11-/m0/s1
InChIKeyNETYIZCHLNVOFQ-AXFHLTTASA-N
XLogP1.72
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]cycloheptane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]cycloheptane-1-carboxamide (CID 124864971) is cis-(1R,2S)-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]cycloheptane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]cycloheptane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]cycloheptane-1-carboxamide is CCc1noc([C@H](C)N[C@H]2CCCCC[C@H]2C(N)=O)n1.
What is the InChIKey of cis-(1R,2S)-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]cycloheptane-1-carboxamide?
The InChIKey is NETYIZCHLNVOFQ-AXFHLTTASA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-12-17-14(20-18-12)9(2)16-11-8-6-4-5-7-10(11)13(15)19/h9-11,16H,3-8H2,1-2H3,(H2,15,19)/t9-,10+,11-/m0/s1.
What are the key properties of cis-(1R,2S)-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]cycloheptane-1-carboxamide?
cis-(1R,2S)-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]cycloheptane-1-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]cycloheptane-1-carboxamide is sourced from PubChem (CID 124864971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).