N-(3-cyclohexyl-4-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide

C20H21N3O2 — CID 154736893

IUPACN-(3-cyclohexyl-4-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide
SMILESCc1c(C2CCCCC2)noc1NC(=O)c1cncc2ccccc12
InChIInChI=1S/C20H21N3O2/c1-13-18(14-7-3-2-4-8-14)23-25-20(13)22-19(24)17-12-21-11-15-9-5-6-10-16(15)17/h5-6,9-12,14H,2-4,7-8H2,1H3,(H,22,24)
InChIKeyGWZUDLTVILUVAM-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.83
Rot. Bonds3

About N-(3-cyclohexyl-4-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide

N-(3-cyclohexyl-4-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide (PubChem CID 154736893) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(3-cyclohexyl-4-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexyl-4-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide
PubChem CID154736893
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(3-cyclohexyl-4-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide
SMILESCc1c(C2CCCCC2)noc1NC(=O)c1cncc2ccccc12
InChIInChI=1S/C20H21N3O2/c1-13-18(14-7-3-2-4-8-14)23-25-20(13)22-19(24)17-12-21-11-15-9-5-6-10-16(15)17/h5-6,9-12,14H,2-4,7-8H2,1H3,(H,22,24)
InChIKeyGWZUDLTVILUVAM-UHFFFAOYSA-N
XLogP4.83
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyl-4-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide?
The IUPAC name of N-(3-cyclohexyl-4-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide (CID 154736893) is N-(3-cyclohexyl-4-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide.
What is the SMILES notation for N-(3-cyclohexyl-4-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide?
The canonical SMILES for N-(3-cyclohexyl-4-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide is Cc1c(C2CCCCC2)noc1NC(=O)c1cncc2ccccc12.
What is the InChIKey of N-(3-cyclohexyl-4-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide?
The InChIKey is GWZUDLTVILUVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-18(14-7-3-2-4-8-14)23-25-20(13)22-19(24)17-12-21-11-15-9-5-6-10-16(15)17/h5-6,9-12,14H,2-4,7-8H2,1H3,(H,22,24).
What are the key properties of N-(3-cyclohexyl-4-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide?
N-(3-cyclohexyl-4-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyl-4-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide is sourced from PubChem (CID 154736893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).