N-[(1S)-cyclohept-3-en-1-yl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine

C12H17N3O — CID 138115367

IUPACN-[(1S)-cyclohept-3-en-1-yl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine
SMILESC1=CC[C@@H](Nc2nnc(C3CC3)o2)CCC1
InChIInChI=1S/C12H17N3O/c1-2-4-6-10(5-3-1)13-12-15-14-11(16-12)9-7-8-9/h1,3,9-10H,2,4-8H2,(H,13,15)/t10-/m1/s1
InChIKeyDPPNDLLJMAKYRD-SNVBAGLBSA-N
MW219.29 g/mol
LogP2.86
Rot. Bonds3

About N-[(1S)-cyclohept-3-en-1-yl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine

N-[(1S)-cyclohept-3-en-1-yl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine (PubChem CID 138115367) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[(1S)-cyclohept-3-en-1-yl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(1S)-cyclohept-3-en-1-yl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine
PubChem CID138115367
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-[(1S)-cyclohept-3-en-1-yl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine
SMILESC1=CC[C@@H](Nc2nnc(C3CC3)o2)CCC1
InChIInChI=1S/C12H17N3O/c1-2-4-6-10(5-3-1)13-12-15-14-11(16-12)9-7-8-9/h1,3,9-10H,2,4-8H2,(H,13,15)/t10-/m1/s1
InChIKeyDPPNDLLJMAKYRD-SNVBAGLBSA-N
XLogP2.86
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-cyclobutyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine
CID 83875168
2-(cyclopropylamino)-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide
CID 61253878
5-cyclobutyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 97210352
5-cyclopropyl-N-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine
CID 130626835
N-cyclopropyl-5-piperidin-2-yl-1,3,4-oxadiazol-2-amine
CID 110456032
N-cyclohex-3-en-1-yl-5-iodopyrimidin-2-amine
CID 104843859
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperazine-1-sulfonamide
CID 61253337
5-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 115924805
6-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-3-sulfonamide
CID 61051190
4-chloro-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 165351237
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidine-4-carboxamide
CID 169248580
5-cyclobutyl-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 72855666

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-cyclohept-3-en-1-yl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(1S)-cyclohept-3-en-1-yl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine (CID 138115367) is N-[(1S)-cyclohept-3-en-1-yl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(1S)-cyclohept-3-en-1-yl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(1S)-cyclohept-3-en-1-yl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine is C1=CC[C@@H](Nc2nnc(C3CC3)o2)CCC1.
What is the InChIKey of N-[(1S)-cyclohept-3-en-1-yl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine?
The InChIKey is DPPNDLLJMAKYRD-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-4-6-10(5-3-1)13-12-15-14-11(16-12)9-7-8-9/h1,3,9-10H,2,4-8H2,(H,13,15)/t10-/m1/s1.
What are the key properties of N-[(1S)-cyclohept-3-en-1-yl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine?
N-[(1S)-cyclohept-3-en-1-yl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine has a molecular weight of 219.29 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-cyclohept-3-en-1-yl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 138115367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).