5-(4-chlorophenyl)-3-[[3-(2-methoxyethyl)imidazol-4-yl]methylamino]-1,2-oxazole-4-carboxylic acid

C17H17ClN4O4 — CID 163315392

IUPAC5-(4-chlorophenyl)-3-[[3-(2-methoxyethyl)imidazol-4-yl]methylamino]-1,2-oxazole-4-carboxylic acid
SMILESCOCCn1cncc1CNc1noc(-c2ccc(Cl)cc2)c1C(=O)O
InChIInChI=1S/C17H17ClN4O4/c1-25-7-6-22-10-19-8-13(22)9-20-16-14(17(23)24)15(26-21-16)11-2-4-12(18)5-3-11/h2-5,8,10H,6-7,9H2,1H3,(H,20,21)(H,23,24)
InChIKeyIWVRJAVKQCCMLI-UHFFFAOYSA-N
MW376.80 g/mol
LogP3.15
Rot. Bonds8

About 5-(4-chlorophenyl)-3-[[3-(2-methoxyethyl)imidazol-4-yl]methylamino]-1,2-oxazole-4-carboxylic acid

5-(4-chlorophenyl)-3-[[3-(2-methoxyethyl)imidazol-4-yl]methylamino]-1,2-oxazole-4-carboxylic acid (PubChem CID 163315392) has the molecular formula C17H17ClN4O4 and a molecular weight of 376.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[[3-(2-methoxyethyl)imidazol-4-yl]methylamino]-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[[3-(2-methoxyethyl)imidazol-4-yl]methylamino]-1,2-oxazole-4-carboxylic acid
PubChem CID163315392
Molecular FormulaC17H17ClN4O4
Molecular Weight376.80 g/mol
Exact Mass376.09
IUPAC Name5-(4-chlorophenyl)-3-[[3-(2-methoxyethyl)imidazol-4-yl]methylamino]-1,2-oxazole-4-carboxylic acid
SMILESCOCCn1cncc1CNc1noc(-c2ccc(Cl)cc2)c1C(=O)O
InChIInChI=1S/C17H17ClN4O4/c1-25-7-6-22-10-19-8-13(22)9-20-16-14(17(23)24)15(26-21-16)11-2-4-12(18)5-3-11/h2-5,8,10H,6-7,9H2,1H3,(H,20,21)(H,23,24)
InChIKeyIWVRJAVKQCCMLI-UHFFFAOYSA-N
XLogP3.15
TPSA102.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-chlorophenyl)-3-(2-methoxybutylamino)-1,2-oxazole-4-carboxylic acid
CID 163308093
3-(3-aminopropylamino)-5-(4-chlorophenyl)-1,2-oxazole-4-carboxylic acid
CID 163314238
5-(4-chlorophenyl)-3-[3-(1-methylpyrazol-4-yl)propylamino]-1,2-oxazole-4-carboxylic acid
CID 163310431
[4,4-bis(hydroxymethyl)piperidin-1-yl]-[5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]methanone
CID 135101386
5-(4-chlorophenyl)-3-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methylamino]-1,2-oxazole-4-carboxylic acid
CID 135096426
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,3,5,6-tetramethylbenzamide
CID 46992676
[5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 135095975
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 91777901
5-(4-chlorophenyl)-3-(2-methoxyethylamino)-N-[(3S)-pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide
CID 135114962
3-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid
CID 166615660
5-(4-chlorophenyl)-3-(2-methoxyethylamino)-N-[(3R)-pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide;hydrochloride
CID 154918302
4-fluoro-3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]benzamide
CID 91773799

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[[3-(2-methoxyethyl)imidazol-4-yl]methylamino]-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-3-[[3-(2-methoxyethyl)imidazol-4-yl]methylamino]-1,2-oxazole-4-carboxylic acid (CID 163315392) is 5-(4-chlorophenyl)-3-[[3-(2-methoxyethyl)imidazol-4-yl]methylamino]-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[[3-(2-methoxyethyl)imidazol-4-yl]methylamino]-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-3-[[3-(2-methoxyethyl)imidazol-4-yl]methylamino]-1,2-oxazole-4-carboxylic acid is COCCn1cncc1CNc1noc(-c2ccc(Cl)cc2)c1C(=O)O.
What is the InChIKey of 5-(4-chlorophenyl)-3-[[3-(2-methoxyethyl)imidazol-4-yl]methylamino]-1,2-oxazole-4-carboxylic acid?
The InChIKey is IWVRJAVKQCCMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O4/c1-25-7-6-22-10-19-8-13(22)9-20-16-14(17(23)24)15(26-21-16)11-2-4-12(18)5-3-11/h2-5,8,10H,6-7,9H2,1H3,(H,20,21)(H,23,24).
What are the key properties of 5-(4-chlorophenyl)-3-[[3-(2-methoxyethyl)imidazol-4-yl]methylamino]-1,2-oxazole-4-carboxylic acid?
5-(4-chlorophenyl)-3-[[3-(2-methoxyethyl)imidazol-4-yl]methylamino]-1,2-oxazole-4-carboxylic acid has a molecular weight of 376.80 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[[3-(2-methoxyethyl)imidazol-4-yl]methylamino]-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 163315392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).