N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide

C18H23FN4O2 — CID 86857308

IUPACN-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESCN(C)Cc1nc(C(C)(C)NC(=O)C2CC2c2ccccc2F)no1
InChIInChI=1S/C18H23FN4O2/c1-18(2,17-20-15(25-22-17)10-23(3)4)21-16(24)13-9-12(13)11-7-5-6-8-14(11)19/h5-8,12-13H,9-10H2,1-4H3,(H,21,24)
InChIKeySNPQXTVWJOOKAJ-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.43
Rot. Bonds6

About N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide

N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 86857308) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID86857308
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC NameN-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESCN(C)Cc1nc(C(C)(C)NC(=O)C2CC2c2ccccc2F)no1
InChIInChI=1S/C18H23FN4O2/c1-18(2,17-20-15(25-22-17)10-23(3)4)21-16(24)13-9-12(13)11-7-5-6-8-14(11)19/h5-8,12-13H,9-10H2,1-4H3,(H,21,24)
InChIKeySNPQXTVWJOOKAJ-UHFFFAOYSA-N
XLogP2.43
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide (CID 86857308) is N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide is CN(C)Cc1nc(C(C)(C)NC(=O)C2CC2c2ccccc2F)no1.
What is the InChIKey of N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is SNPQXTVWJOOKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-18(2,17-20-15(25-22-17)10-23(3)4)21-16(24)13-9-12(13)11-7-5-6-8-14(11)19/h5-8,12-13H,9-10H2,1-4H3,(H,21,24).
What are the key properties of N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 86857308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).