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

C19H21ClN4O4 — CID 24819520

IUPAC5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1cc(Cl)ccc1OCc1cc(C(=O)N(C)Cc2cn(C)nc2C)no1
InChIInChI=1S/C19H21ClN4O4/c1-12-13(10-24(3)21-12)9-23(2)19(25)16-8-15(28-22-16)11-27-17-6-5-14(20)7-18(17)26-4/h5-8,10H,9,11H2,1-4H3
InChIKeyKBNXXRICJKUZDH-UHFFFAOYSA-N
MW404.85 g/mol
LogP3.23
Rot. Bonds7

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

5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 24819520) has the molecular formula C19H21ClN4O4 and a molecular weight of 404.85 g/mol. Its IUPAC name is 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID24819520
Molecular FormulaC19H21ClN4O4
Molecular Weight404.85 g/mol
Exact Mass404.13
IUPAC Name5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1cc(Cl)ccc1OCc1cc(C(=O)N(C)Cc2cn(C)nc2C)no1
InChIInChI=1S/C19H21ClN4O4/c1-12-13(10-24(3)21-12)9-23(2)19(25)16-8-15(28-22-16)11-27-17-6-5-14(20)7-18(17)26-4/h5-8,10H,9,11H2,1-4H3
InChIKeyKBNXXRICJKUZDH-UHFFFAOYSA-N
XLogP3.23
TPSA82.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide (CID 24819520) is 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide is COc1cc(Cl)ccc1OCc1cc(C(=O)N(C)Cc2cn(C)nc2C)no1.
What is the InChIKey of 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is KBNXXRICJKUZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O4/c1-12-13(10-24(3)21-12)9-23(2)19(25)16-8-15(28-22-16)11-27-17-6-5-14(20)7-18(17)26-4/h5-8,10H,9,11H2,1-4H3.
What are the key properties of 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 404.85 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24819520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).