N-[(1-methylpyrazol-4-yl)methyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide

C20H22N4O3 — CID 24819385

IUPACN-[(1-methylpyrazol-4-yl)methyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide
SMILESCn1cc(CNC(=O)c2cc(COc3ccc4c(c3)CCCC4)on2)cn1
InChIInChI=1S/C20H22N4O3/c1-24-12-14(11-22-24)10-21-20(25)19-9-18(27-23-19)13-26-17-7-6-15-4-2-3-5-16(15)8-17/h6-9,11-12H,2-5,10,13H2,1H3,(H,21,25)
InChIKeyJKCMJOVMGGBBFU-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.80
Rot. Bonds6

About N-[(1-methylpyrazol-4-yl)methyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide

N-[(1-methylpyrazol-4-yl)methyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 24819385) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID24819385
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide
SMILESCn1cc(CNC(=O)c2cc(COc3ccc4c(c3)CCCC4)on2)cn1
InChIInChI=1S/C20H22N4O3/c1-24-12-14(11-22-24)10-21-20(25)19-9-18(27-23-19)13-26-17-7-6-15-4-2-3-5-16(15)8-17/h6-9,11-12H,2-5,10,13H2,1H3,(H,21,25)
InChIKeyJKCMJOVMGGBBFU-UHFFFAOYSA-N
XLogP2.80
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide (CID 24819385) is N-[(1-methylpyrazol-4-yl)methyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide is Cn1cc(CNC(=O)c2cc(COc3ccc4c(c3)CCCC4)on2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is JKCMJOVMGGBBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-24-12-14(11-22-24)10-21-20(25)19-9-18(27-23-19)13-26-17-7-6-15-4-2-3-5-16(15)8-17/h6-9,11-12H,2-5,10,13H2,1H3,(H,21,25).
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide?
N-[(1-methylpyrazol-4-yl)methyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24819385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).