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

C21H24N4O3 — CID 42098395

IUPACN-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cnc(CCNC(=O)c2cc(COc3ccc4c(c3)CCCC4)on2)[nH]1
InChIInChI=1S/C21H24N4O3/c1-14-12-23-20(24-14)8-9-22-21(26)19-11-18(28-25-19)13-27-17-7-6-15-4-2-3-5-16(15)10-17/h6-7,10-12H,2-5,8-9,13H2,1H3,(H,22,26)(H,23,24)
InChIKeyPJYQBDTVQMSOJQ-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.14
Rot. Bonds7

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

N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 42098395) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID42098395
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cnc(CCNC(=O)c2cc(COc3ccc4c(c3)CCCC4)on2)[nH]1
InChIInChI=1S/C21H24N4O3/c1-14-12-23-20(24-14)8-9-22-21(26)19-11-18(28-25-19)13-27-17-7-6-15-4-2-3-5-16(15)10-17/h6-7,10-12H,2-5,8-9,13H2,1H3,(H,22,26)(H,23,24)
InChIKeyPJYQBDTVQMSOJQ-UHFFFAOYSA-N
XLogP3.14
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62486332
5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[2-(3-methylthiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 56708025
N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 136538177
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide
CID 19459070
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 90649095
3-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)furan-2-carboxylic acid
CID 61398917
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-3-methylfuran-2-carbohydrazide
CID 63574877
N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 26392951
5-[(4-fluorophenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 167925570
5-[[4-(2,2-dimethylpropanoylamino)phenoxy]methyl]-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
CID 53110220
5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 53110019

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide (CID 42098395) is N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide is Cc1cnc(CCNC(=O)c2cc(COc3ccc4c(c3)CCCC4)on2)[nH]1.
What is the InChIKey of N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is PJYQBDTVQMSOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14-12-23-20(24-14)8-9-22-21(26)19-11-18(28-25-19)13-27-17-7-6-15-4-2-3-5-16(15)10-17/h6-7,10-12H,2-5,8-9,13H2,1H3,(H,22,26)(H,23,24).
What are the key properties of N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide?
N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42098395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).