N-[(1R)-5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide

C15H13F2N7O2 — CID 139412831

IUPACN-[(1R)-5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide
SMILESCn1nnc(C(=O)N[C@@H]2CCc3cc(-c4nc(C(F)F)no4)ccc32)n1
InChIInChI=1S/C15H13F2N7O2/c1-24-21-13(20-23-24)14(25)18-10-5-3-7-6-8(2-4-9(7)10)15-19-12(11(16)17)22-26-15/h2,4,6,10-11H,3,5H2,1H3,(H,18,25)/t10-/m1/s1
InChIKeyZEHBXJZGYCPAPR-SNVBAGLBSA-N
MW361.31 g/mol
LogP1.62
Rot. Bonds4

About N-[(1R)-5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide

N-[(1R)-5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide (PubChem CID 139412831) has the molecular formula C15H13F2N7O2 and a molecular weight of 361.31 g/mol. Its IUPAC name is N-[(1R)-5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide
PubChem CID139412831
Molecular FormulaC15H13F2N7O2
Molecular Weight361.31 g/mol
Exact Mass361.11
IUPAC NameN-[(1R)-5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide
SMILESCn1nnc(C(=O)N[C@@H]2CCc3cc(-c4nc(C(F)F)no4)ccc32)n1
InChIInChI=1S/C15H13F2N7O2/c1-24-21-13(20-23-24)14(25)18-10-5-3-7-6-8(2-4-9(7)10)15-19-12(11(16)17)22-26-15/h2,4,6,10-11H,3,5H2,1H3,(H,18,25)/t10-/m1/s1
InChIKeyZEHBXJZGYCPAPR-SNVBAGLBSA-N
XLogP1.62
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide?
The IUPAC name of N-[(1R)-5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide (CID 139412831) is N-[(1R)-5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide?
The canonical SMILES for N-[(1R)-5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide is Cn1nnc(C(=O)N[C@@H]2CCc3cc(-c4nc(C(F)F)no4)ccc32)n1.
What is the InChIKey of N-[(1R)-5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide?
The InChIKey is ZEHBXJZGYCPAPR-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H13F2N7O2/c1-24-21-13(20-23-24)14(25)18-10-5-3-7-6-8(2-4-9(7)10)15-19-12(11(16)17)22-26-15/h2,4,6,10-11H,3,5H2,1H3,(H,18,25)/t10-/m1/s1.
What are the key properties of N-[(1R)-5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide?
N-[(1R)-5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide has a molecular weight of 361.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide is sourced from PubChem (CID 139412831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).