N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethylimidazole-4-carboxamide

C13H17N5O2 — CID 122560394

IUPACN-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethylimidazole-4-carboxamide
SMILESCc1ncn(C)c1C(=O)NC(C)c1nc(C2CC2)no1
InChIInChI=1S/C13H17N5O2/c1-7-10(18(3)6-14-7)12(19)15-8(2)13-16-11(17-20-13)9-4-5-9/h6,8-9H,4-5H2,1-3H3,(H,15,19)
InChIKeyIMULOOYSESBHNJ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.48
Rot. Bonds4

About N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethylimidazole-4-carboxamide

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethylimidazole-4-carboxamide (PubChem CID 122560394) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethylimidazole-4-carboxamide
PubChem CID122560394
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethylimidazole-4-carboxamide
SMILESCc1ncn(C)c1C(=O)NC(C)c1nc(C2CC2)no1
InChIInChI=1S/C13H17N5O2/c1-7-10(18(3)6-14-7)12(19)15-8(2)13-16-11(17-20-13)9-4-5-9/h6,8-9H,4-5H2,1-3H3,(H,15,19)
InChIKeyIMULOOYSESBHNJ-UHFFFAOYSA-N
XLogP1.48
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethylimidazole-4-carboxamide?
The IUPAC name of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethylimidazole-4-carboxamide (CID 122560394) is N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethylimidazole-4-carboxamide.
What is the SMILES notation for N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethylimidazole-4-carboxamide?
The canonical SMILES for N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethylimidazole-4-carboxamide is Cc1ncn(C)c1C(=O)NC(C)c1nc(C2CC2)no1.
What is the InChIKey of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethylimidazole-4-carboxamide?
The InChIKey is IMULOOYSESBHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-7-10(18(3)6-14-7)12(19)15-8(2)13-16-11(17-20-13)9-4-5-9/h6,8-9H,4-5H2,1-3H3,(H,15,19).
What are the key properties of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethylimidazole-4-carboxamide?
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethylimidazole-4-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 122560394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).