N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide

C20H24N4O3 — CID 19488212

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cccc(OCc2c(C(=O)N(C)Cc3cn(C)nc3C)noc2C)c1
InChIInChI=1S/C20H24N4O3/c1-13-7-6-8-17(9-13)26-12-18-15(3)27-22-19(18)20(25)23(4)10-16-11-24(5)21-14(16)2/h6-9,11H,10,12H2,1-5H3
InChIKeyKTHYAGQXUCTMSG-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.18
Rot. Bonds6

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 19488212) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
PubChem CID19488212
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cccc(OCc2c(C(=O)N(C)Cc3cn(C)nc3C)noc2C)c1
InChIInChI=1S/C20H24N4O3/c1-13-7-6-8-17(9-13)26-12-18-15(3)27-22-19(18)20(25)23(4)10-16-11-24(5)21-14(16)2/h6-9,11H,10,12H2,1-5H3
InChIKeyKTHYAGQXUCTMSG-UHFFFAOYSA-N
XLogP3.18
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,5-dimethyl-4-[(3-methylphenoxy)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 19488211
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(3-chlorophenoxy)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19444121
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-[(3-chlorophenoxy)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19444119
4-[(3,5-dimethylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19444409
4-[(2,4-dimethylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19484143
azepan-1-yl-[5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 19488187
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(4-ethylphenoxy)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19444513
4-[(3-chlorophenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443972
N-[(1-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19492397
4-(methoxymethyl)-N,5-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-3-carboxamide
CID 50975170
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,5-dimethyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
CID 19488120
N-(4-acetylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488246

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide (CID 19488212) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide is Cc1cccc(OCc2c(C(=O)N(C)Cc3cn(C)nc3C)noc2C)c1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is KTHYAGQXUCTMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13-7-6-8-17(9-13)26-12-18-15(3)27-22-19(18)20(25)23(4)10-16-11-24(5)21-14(16)2/h6-9,11H,10,12H2,1-5H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19488212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).