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

C21H26N4O3 — CID 19444610

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCc1ccc(OCc2c(C(=O)NC(C)c3cnn(C)c3C)noc2C)cc1
InChIInChI=1S/C21H26N4O3/c1-6-16-7-9-17(10-8-16)27-12-19-15(4)28-24-20(19)21(26)23-13(2)18-11-22-25(5)14(18)3/h7-11,13H,6,12H2,1-5H3,(H,23,26)
InChIKeyVPLUMNRSYSKLRR-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.66
Rot. Bonds7

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

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19444610) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID19444610
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCc1ccc(OCc2c(C(=O)NC(C)c3cnn(C)c3C)noc2C)cc1
InChIInChI=1S/C21H26N4O3/c1-6-16-7-9-17(10-8-16)27-12-19-15(4)28-24-20(19)21(26)23-13(2)18-11-22-25(5)14(18)3/h7-11,13H,6,12H2,1-5H3,(H,23,26)
InChIKeyVPLUMNRSYSKLRR-UHFFFAOYSA-N
XLogP3.66
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
CID 19488136
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444542
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(4-ethylphenoxy)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19444513
4-[(4-ethylphenoxy)methyl]-N-(1-ethylpyrazol-4-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444620
4-[(4-chlorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443815
N-[1-(4-methoxyphenyl)ethyl]-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488573
N-butan-2-yl-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445363
4-[(4-fluorophenoxy)methyl]-5-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 19445345
N-(3,4-difluorophenyl)-4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444531
4-[(4-ethylphenoxy)methyl]-5-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 19444565
[4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 19444507
4-[(3-fluorophenoxy)methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 19492599

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 19444610) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is CCc1ccc(OCc2c(C(=O)NC(C)c3cnn(C)c3C)noc2C)cc1.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is VPLUMNRSYSKLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-6-16-7-9-17(10-8-16)27-12-19-15(4)28-24-20(19)21(26)23-13(2)18-11-22-25(5)14(18)3/h7-11,13H,6,12H2,1-5H3,(H,23,26).
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19444610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).