N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(tetrazol-1-yl)oxane-4-carboxamide

C18H27N7O4 — CID 154868756

IUPACN-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(tetrazol-1-yl)oxane-4-carboxamide
SMILESCC(C)c1noc(C(NC(=O)C2(n3cnnn3)CCOCC2)C2CCOCC2)n1
InChIInChI=1S/C18H27N7O4/c1-12(2)15-21-16(29-22-15)14(13-3-7-27-8-4-13)20-17(26)18(5-9-28-10-6-18)25-11-19-23-24-25/h11-14H,3-10H2,1-2H3,(H,20,26)
InChIKeyDEQPWUKBEWJXGM-UHFFFAOYSA-N
MW405.46 g/mol
LogP0.97
Rot. Bonds6

About N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(tetrazol-1-yl)oxane-4-carboxamide

N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(tetrazol-1-yl)oxane-4-carboxamide (PubChem CID 154868756) has the molecular formula C18H27N7O4 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(tetrazol-1-yl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(tetrazol-1-yl)oxane-4-carboxamide
PubChem CID154868756
Molecular FormulaC18H27N7O4
Molecular Weight405.46 g/mol
Exact Mass405.21
IUPAC NameN-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(tetrazol-1-yl)oxane-4-carboxamide
SMILESCC(C)c1noc(C(NC(=O)C2(n3cnnn3)CCOCC2)C2CCOCC2)n1
InChIInChI=1S/C18H27N7O4/c1-12(2)15-21-16(29-22-15)14(13-3-7-27-8-4-13)20-17(26)18(5-9-28-10-6-18)25-11-19-23-24-25/h11-14H,3-10H2,1-2H3,(H,20,26)
InChIKeyDEQPWUKBEWJXGM-UHFFFAOYSA-N
XLogP0.97
TPSA130.08 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(tetrazol-1-yl)oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(tetrazol-1-yl)oxane-4-carboxamide?
The IUPAC name of N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(tetrazol-1-yl)oxane-4-carboxamide (CID 154868756) is N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(tetrazol-1-yl)oxane-4-carboxamide.
What is the SMILES notation for N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(tetrazol-1-yl)oxane-4-carboxamide?
The canonical SMILES for N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(tetrazol-1-yl)oxane-4-carboxamide is CC(C)c1noc(C(NC(=O)C2(n3cnnn3)CCOCC2)C2CCOCC2)n1.
What is the InChIKey of N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(tetrazol-1-yl)oxane-4-carboxamide?
The InChIKey is DEQPWUKBEWJXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O4/c1-12(2)15-21-16(29-22-15)14(13-3-7-27-8-4-13)20-17(26)18(5-9-28-10-6-18)25-11-19-23-24-25/h11-14H,3-10H2,1-2H3,(H,20,26).
What are the key properties of N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(tetrazol-1-yl)oxane-4-carboxamide?
N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(tetrazol-1-yl)oxane-4-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(tetrazol-1-yl)oxane-4-carboxamide is sourced from PubChem (CID 154868756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).