1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-isoquinolin-5-ylurea

C19H21N5O2 — CID 72844286

IUPAC1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-isoquinolin-5-ylurea
SMILESO=C(NCc1nc(C2CCCCC2)no1)Nc1cccc2cnccc12
InChIInChI=1S/C19H21N5O2/c25-19(22-16-8-4-7-14-11-20-10-9-15(14)16)21-12-17-23-18(24-26-17)13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6,12H2,(H2,21,22,25)
InChIKeyFDAFKMDJYSKMJP-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.99
Rot. Bonds4

About 1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-isoquinolin-5-ylurea

1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-isoquinolin-5-ylurea (PubChem CID 72844286) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-isoquinolin-5-ylurea.

Molecular Properties

Compound Name1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-isoquinolin-5-ylurea
PubChem CID72844286
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-isoquinolin-5-ylurea
SMILESO=C(NCc1nc(C2CCCCC2)no1)Nc1cccc2cnccc12
InChIInChI=1S/C19H21N5O2/c25-19(22-16-8-4-7-14-11-20-10-9-15(14)16)21-12-17-23-18(24-26-17)13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6,12H2,(H2,21,22,25)
InChIKeyFDAFKMDJYSKMJP-UHFFFAOYSA-N
XLogP3.99
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]phenyl]acetamide
CID 118788592
4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]-N-ethyl-3-methylbenzamide
CID 72885571
3-(isoquinolin-5-ylcarbamoylamino)propanoic acid
CID 61205972
1-isoquinolin-5-yl-3-[(3-methylphenyl)methyl]urea
CID 10334463
1-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-isoquinolin-5-ylurea
CID 118783725
1-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-isoquinolin-5-ylurea
CID 94515114
1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-isoquinolin-5-ylurea
CID 69185205
1-isoquinolin-5-yl-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 11725098
1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(5-methyl-2-propylpyrazol-3-yl)urea
CID 72845388
1-[(3-chloro-4-fluorophenyl)methyl]-3-isoquinolin-5-ylurea
CID 11255965
1-[(4-bromo-4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-isoquinolin-5-ylurea
CID 142686095
1-[(2R)-2-hydroxy-3,3-dimethylbutyl]-3-isoquinolin-5-ylurea
CID 95329190

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-isoquinolin-5-ylurea?
The IUPAC name of 1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-isoquinolin-5-ylurea (CID 72844286) is 1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-isoquinolin-5-ylurea.
What is the SMILES notation for 1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-isoquinolin-5-ylurea?
The canonical SMILES for 1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-isoquinolin-5-ylurea is O=C(NCc1nc(C2CCCCC2)no1)Nc1cccc2cnccc12.
What is the InChIKey of 1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-isoquinolin-5-ylurea?
The InChIKey is FDAFKMDJYSKMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-19(22-16-8-4-7-14-11-20-10-9-15(14)16)21-12-17-23-18(24-26-17)13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6,12H2,(H2,21,22,25).
What are the key properties of 1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-isoquinolin-5-ylurea?
1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-isoquinolin-5-ylurea has a molecular weight of 351.41 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-isoquinolin-5-ylurea is sourced from PubChem (CID 72844286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).