3-propan-2-yl-N-[1-(2H-tetrazol-5-yl)cyclobutyl]furan-2-carboxamide

C13H17N5O2 — CID 166312474

IUPAC3-propan-2-yl-N-[1-(2H-tetrazol-5-yl)cyclobutyl]furan-2-carboxamide
SMILESCC(C)c1ccoc1C(=O)NC1(c2nn[nH]n2)CCC1
InChIInChI=1S/C13H17N5O2/c1-8(2)9-4-7-20-10(9)11(19)14-13(5-3-6-13)12-15-17-18-16-12/h4,7-8H,3,5-6H2,1-2H3,(H,14,19)(H,15,16,17,18)
InChIKeyBTDQKIDITYLARH-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.73
Rot. Bonds4

About 3-propan-2-yl-N-[1-(2H-tetrazol-5-yl)cyclobutyl]furan-2-carboxamide

3-propan-2-yl-N-[1-(2H-tetrazol-5-yl)cyclobutyl]furan-2-carboxamide (PubChem CID 166312474) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-propan-2-yl-N-[1-(2H-tetrazol-5-yl)cyclobutyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-propan-2-yl-N-[1-(2H-tetrazol-5-yl)cyclobutyl]furan-2-carboxamide
PubChem CID166312474
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name3-propan-2-yl-N-[1-(2H-tetrazol-5-yl)cyclobutyl]furan-2-carboxamide
SMILESCC(C)c1ccoc1C(=O)NC1(c2nn[nH]n2)CCC1
InChIInChI=1S/C13H17N5O2/c1-8(2)9-4-7-20-10(9)11(19)14-13(5-3-6-13)12-15-17-18-16-12/h4,7-8H,3,5-6H2,1-2H3,(H,14,19)(H,15,16,17,18)
InChIKeyBTDQKIDITYLARH-UHFFFAOYSA-N
XLogP1.73
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-[1-(2H-tetrazol-5-yl)cyclobutyl]furan-2-carboxamide?
The IUPAC name of 3-propan-2-yl-N-[1-(2H-tetrazol-5-yl)cyclobutyl]furan-2-carboxamide (CID 166312474) is 3-propan-2-yl-N-[1-(2H-tetrazol-5-yl)cyclobutyl]furan-2-carboxamide.
What is the SMILES notation for 3-propan-2-yl-N-[1-(2H-tetrazol-5-yl)cyclobutyl]furan-2-carboxamide?
The canonical SMILES for 3-propan-2-yl-N-[1-(2H-tetrazol-5-yl)cyclobutyl]furan-2-carboxamide is CC(C)c1ccoc1C(=O)NC1(c2nn[nH]n2)CCC1.
What is the InChIKey of 3-propan-2-yl-N-[1-(2H-tetrazol-5-yl)cyclobutyl]furan-2-carboxamide?
The InChIKey is BTDQKIDITYLARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-8(2)9-4-7-20-10(9)11(19)14-13(5-3-6-13)12-15-17-18-16-12/h4,7-8H,3,5-6H2,1-2H3,(H,14,19)(H,15,16,17,18).
What are the key properties of 3-propan-2-yl-N-[1-(2H-tetrazol-5-yl)cyclobutyl]furan-2-carboxamide?
3-propan-2-yl-N-[1-(2H-tetrazol-5-yl)cyclobutyl]furan-2-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-[1-(2H-tetrazol-5-yl)cyclobutyl]furan-2-carboxamide is sourced from PubChem (CID 166312474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).