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

C18H15F2N5O2 — CID 139412927

IUPACN-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)NC2CCc3cc(-c4noc(C(F)F)n4)ccc32)n1
InChIInChI=1S/C18H15F2N5O2/c1-9-21-7-6-14(22-9)17(26)23-13-5-3-10-8-11(2-4-12(10)13)16-24-18(15(19)20)27-25-16/h2,4,6-8,13,15H,3,5H2,1H3,(H,23,26)
InChIKeyCCKILJPLBAOILF-UHFFFAOYSA-N
MW371.35 g/mol
LogP3.19
Rot. Bonds4

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

N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyrimidine-4-carboxamide (PubChem CID 139412927) has the molecular formula C18H15F2N5O2 and a molecular weight of 371.35 g/mol. Its IUPAC name is N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyrimidine-4-carboxamide
PubChem CID139412927
Molecular FormulaC18H15F2N5O2
Molecular Weight371.35 g/mol
Exact Mass371.12
IUPAC NameN-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)NC2CCc3cc(-c4noc(C(F)F)n4)ccc32)n1
InChIInChI=1S/C18H15F2N5O2/c1-9-21-7-6-14(22-9)17(26)23-13-5-3-10-8-11(2-4-12(10)13)16-24-18(15(19)20)27-25-16/h2,4,6-8,13,15H,3,5H2,1H3,(H,23,26)
InChIKeyCCKILJPLBAOILF-UHFFFAOYSA-N
XLogP3.19
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyrimidine-4-carboxamide (CID 139412927) is N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyrimidine-4-carboxamide is Cc1nccc(C(=O)NC2CCc3cc(-c4noc(C(F)F)n4)ccc32)n1.
What is the InChIKey of N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is CCKILJPLBAOILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5O2/c1-9-21-7-6-14(22-9)17(26)23-13-5-3-10-8-11(2-4-12(10)13)16-24-18(15(19)20)27-25-16/h2,4,6-8,13,15H,3,5H2,1H3,(H,23,26).
What are the key properties of N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyrimidine-4-carboxamide?
N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 371.35 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 139412927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).