N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-9H-fluorene-9-carboxamide

C22H21N3O2 — CID 118783486

IUPACN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-9H-fluorene-9-carboxamide
SMILESCN(CCc1noc(C2CC2)n1)C(=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H21N3O2/c1-25(13-12-19-23-21(27-24-19)14-10-11-14)22(26)20-17-8-4-2-6-15(17)16-7-3-5-9-18(16)20/h2-9,14,20H,10-13H2,1H3
InChIKeyKRJBDMDCQYLHGR-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.76
Rot. Bonds5

About N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-9H-fluorene-9-carboxamide

N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-9H-fluorene-9-carboxamide (PubChem CID 118783486) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-9H-fluorene-9-carboxamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-9H-fluorene-9-carboxamide
PubChem CID118783486
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-9H-fluorene-9-carboxamide
SMILESCN(CCc1noc(C2CC2)n1)C(=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H21N3O2/c1-25(13-12-19-23-21(27-24-19)14-10-11-14)22(26)20-17-8-4-2-6-15(17)16-7-3-5-9-18(16)20/h2-9,14,20H,10-13H2,1H3
InChIKeyKRJBDMDCQYLHGR-UHFFFAOYSA-N
XLogP3.76
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 97156039
3-(benzenesulfonyl)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylpropanamide
CID 91842616
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-phenylsulfanylacetamide
CID 53055557
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 72896849
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 72912208
1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-ethylphenyl)-1-methylurea
CID 53055097
1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methyl-3-(thiadiazol-5-yl)urea
CID 72914208
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3-dimethylbenzamide
CID 46290783
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-fluoro-N-methylbenzamide
CID 53055562
(3R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 97280706
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 118781070
1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1H-indazol-4-yl)-1-methylurea
CID 118773141

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-9H-fluorene-9-carboxamide?
The IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-9H-fluorene-9-carboxamide (CID 118783486) is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-9H-fluorene-9-carboxamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-9H-fluorene-9-carboxamide?
The canonical SMILES for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-9H-fluorene-9-carboxamide is CN(CCc1noc(C2CC2)n1)C(=O)C1c2ccccc2-c2ccccc21.
What is the InChIKey of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-9H-fluorene-9-carboxamide?
The InChIKey is KRJBDMDCQYLHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-25(13-12-19-23-21(27-24-19)14-10-11-14)22(26)20-17-8-4-2-6-15(17)16-7-3-5-9-18(16)20/h2-9,14,20H,10-13H2,1H3.
What are the key properties of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-9H-fluorene-9-carboxamide?
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-9H-fluorene-9-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-9H-fluorene-9-carboxamide is sourced from PubChem (CID 118783486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).