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

C21H24N4O3 — CID 25285334

IUPACN-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(CN(C)C(=O)c2cc(COc3ccc4c(c3)CCCC4)on2)n[nH]1
InChIInChI=1S/C21H24N4O3/c1-14-9-17(23-22-14)12-25(2)21(26)20-11-19(28-24-20)13-27-18-8-7-15-5-3-4-6-16(15)10-18/h7-11H,3-6,12-13H2,1-2H3,(H,22,23)
InChIKeyHOIKTTRDRFLGRA-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.44
Rot. Bonds6

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

N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 25285334) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID25285334
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(CN(C)C(=O)c2cc(COc3ccc4c(c3)CCCC4)on2)n[nH]1
InChIInChI=1S/C21H24N4O3/c1-14-9-17(23-22-14)12-25(2)21(26)20-11-19(28-24-20)13-27-18-8-7-15-5-3-4-6-16(15)10-18/h7-11H,3-6,12-13H2,1-2H3,(H,22,23)
InChIKeyHOIKTTRDRFLGRA-UHFFFAOYSA-N
XLogP3.44
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide
CID 24791199
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CID 24790810
[5-[(4-Methoxynaphthalen-1-yl)oxymethyl]-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 24791303
5-[(3,4-dimethylphenoxy)methyl]-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide
CID 24792994
5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(4-oxanylmethyl)-3-isoxazolecarboxamide
CID 24794137
5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylpropyl)-3-isoxazolecarboxamide
CID 24817239
N-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-prop-2-ynyl-1,2-oxazole-3-carboxamide
CID 24817610
5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 24817738
5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide
CID 24817789
5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(2-phenylethyl)-3-isoxazolecarboxamide
CID 24818971
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-5-{[2-(methylthio)phenoxy]methyl}-3-isoxazolecarboxamide
CID 24819262
N-[(1-methyl-1H-pyrazol-4-yl)methyl]-5-[(5,6,7,8-tetrahydro-2-naphthalenyloxy)methyl]-3-isoxazolecarboxamide
CID 24819385

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide (CID 25285334) is N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide is Cc1cc(CN(C)C(=O)c2cc(COc3ccc4c(c3)CCCC4)on2)n[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is HOIKTTRDRFLGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14-9-17(23-22-14)12-25(2)21(26)20-11-19(28-24-20)13-27-18-8-7-15-5-3-4-6-16(15)10-18/h7-11H,3-6,12-13H2,1-2H3,(H,22,23).
What are the key properties of N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide?
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 25285334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).