N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(tetrazol-1-yl)propanamide

C11H17N7O2 — CID 91838094

IUPACN-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(tetrazol-1-yl)propanamide
SMILESCC(C)c1noc(CCNC(=O)CCn2cnnn2)n1
InChIInChI=1S/C11H17N7O2/c1-8(2)11-14-10(20-15-11)3-5-12-9(19)4-6-18-7-13-16-17-18/h7-8H,3-6H2,1-2H3,(H,12,19)
InChIKeyAPDVENIFJXNZBO-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.07
Rot. Bonds7

About N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(tetrazol-1-yl)propanamide

N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(tetrazol-1-yl)propanamide (PubChem CID 91838094) has the molecular formula C11H17N7O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(tetrazol-1-yl)propanamide
PubChem CID91838094
Molecular FormulaC11H17N7O2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC NameN-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(tetrazol-1-yl)propanamide
SMILESCC(C)c1noc(CCNC(=O)CCn2cnnn2)n1
InChIInChI=1S/C11H17N7O2/c1-8(2)11-14-10(20-15-11)3-5-12-9(19)4-6-18-7-13-16-17-18/h7-8H,3-6H2,1-2H3,(H,12,19)
InChIKeyAPDVENIFJXNZBO-UHFFFAOYSA-N
XLogP-0.07
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(tetrazol-1-yl)propanamide?
The IUPAC name of N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(tetrazol-1-yl)propanamide (CID 91838094) is N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(tetrazol-1-yl)propanamide is CC(C)c1noc(CCNC(=O)CCn2cnnn2)n1.
What is the InChIKey of N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(tetrazol-1-yl)propanamide?
The InChIKey is APDVENIFJXNZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O2/c1-8(2)11-14-10(20-15-11)3-5-12-9(19)4-6-18-7-13-16-17-18/h7-8H,3-6H2,1-2H3,(H,12,19).
What are the key properties of N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(tetrazol-1-yl)propanamide?
N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(tetrazol-1-yl)propanamide has a molecular weight of 279.30 g/mol, XLogP of -0.07, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 91838094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).