N-cyclopropyl-5-(isoquinolin-5-yloxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide

C24H25N5O3 — CID 25486572

IUPACN-cyclopropyl-5-(isoquinolin-5-yloxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1nn(C)c(C)c1CN(C(=O)c1cc(COc2cccc3cnccc23)on1)C1CC1
InChIInChI=1S/C24H25N5O3/c1-15-21(16(2)28(3)26-15)13-29(18-7-8-18)24(30)22-11-19(32-27-22)14-31-23-6-4-5-17-12-25-10-9-20(17)23/h4-6,9-12,18H,7-8,13-14H2,1-3H3
InChIKeyOUDNABOPIZMXET-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.96
Rot. Bonds7

About N-cyclopropyl-5-(isoquinolin-5-yloxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide

N-cyclopropyl-5-(isoquinolin-5-yloxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 25486572) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-cyclopropyl-5-(isoquinolin-5-yloxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(isoquinolin-5-yloxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID25486572
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC NameN-cyclopropyl-5-(isoquinolin-5-yloxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1nn(C)c(C)c1CN(C(=O)c1cc(COc2cccc3cnccc23)on1)C1CC1
InChIInChI=1S/C24H25N5O3/c1-15-21(16(2)28(3)26-15)13-29(18-7-8-18)24(30)22-11-19(32-27-22)14-31-23-6-4-5-17-12-25-10-9-20(17)23/h4-6,9-12,18H,7-8,13-14H2,1-3H3
InChIKeyOUDNABOPIZMXET-UHFFFAOYSA-N
XLogP3.96
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(isoquinolin-5-yloxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-(isoquinolin-5-yloxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide (CID 25486572) is N-cyclopropyl-5-(isoquinolin-5-yloxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(isoquinolin-5-yloxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(isoquinolin-5-yloxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide is Cc1nn(C)c(C)c1CN(C(=O)c1cc(COc2cccc3cnccc23)on1)C1CC1.
What is the InChIKey of N-cyclopropyl-5-(isoquinolin-5-yloxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is OUDNABOPIZMXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-15-21(16(2)28(3)26-15)13-29(18-7-8-18)24(30)22-11-19(32-27-22)14-31-23-6-4-5-17-12-25-10-9-20(17)23/h4-6,9-12,18H,7-8,13-14H2,1-3H3.
What are the key properties of N-cyclopropyl-5-(isoquinolin-5-yloxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
N-cyclopropyl-5-(isoquinolin-5-yloxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(isoquinolin-5-yloxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 25486572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).