4-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide

C18H19ClN4O3 — CID 19443791

IUPAC4-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCn1ccc(CNC(=O)c2noc(C)c2COc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H19ClN4O3/c1-3-23-9-8-14(21-23)10-20-18(24)17-16(12(2)26-22-17)11-25-15-6-4-13(19)5-7-15/h4-9H,3,10-11H2,1-2H3,(H,20,24)
InChIKeyGUFKGFAKNXSLFO-UHFFFAOYSA-N
MW374.83 g/mol
LogP3.36
Rot. Bonds7

About 4-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide

4-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19443791) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID19443791
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC Name4-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCn1ccc(CNC(=O)c2noc(C)c2COc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H19ClN4O3/c1-3-23-9-8-14(21-23)10-20-18(24)17-16(12(2)26-22-17)11-25-15-6-4-13(19)5-7-15/h4-9H,3,10-11H2,1-2H3,(H,20,24)
InChIKeyGUFKGFAKNXSLFO-UHFFFAOYSA-N
XLogP3.36
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-chlorophenoxy)methyl]-N-(1-ethylpyrazol-4-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443858
N-[(1-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19492397
4-[(4-chlorophenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443661
4-[(3-chlorophenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443972
4-[(4-chlorophenoxy)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443709
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443602
4-[(4-chlorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443815
N-(5-chloro-2-methylphenyl)-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443593
4-[(4-chlorophenoxy)methyl]-N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443868
4-[(4-chlorophenoxy)methyl]-N-(3,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443637
4-[(4-fluorophenoxy)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445267
N-(1-benzylpyrazol-4-yl)-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443682

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 19443791) is 4-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide is CCn1ccc(CNC(=O)c2noc(C)c2COc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is GUFKGFAKNXSLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c1-3-23-9-8-14(21-23)10-20-18(24)17-16(12(2)26-22-17)11-25-15-6-4-13(19)5-7-15/h4-9H,3,10-11H2,1-2H3,(H,20,24).
What are the key properties of 4-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
4-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 374.83 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19443791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).