methyl 3-(2-chlorophenyl)-5-[1-(3-hydroxycyclobutyl)-5-methylpyrazol-4-yl]-1,2-oxazole-4-carboxylate

C19H18ClN3O4 — CID 167186393

IUPACmethyl 3-(2-chlorophenyl)-5-[1-(3-hydroxycyclobutyl)-5-methylpyrazol-4-yl]-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2Cl)noc1-c1cnn(C2CC(O)C2)c1C
InChIInChI=1S/C19H18ClN3O4/c1-10-14(9-21-23(10)11-7-12(24)8-11)18-16(19(25)26-2)17(22-27-18)13-5-3-4-6-15(13)20/h3-6,9,11-12,24H,7-8H2,1-2H3
InChIKeyOTXNPQNVZPGMHM-UHFFFAOYSA-N
MW387.82 g/mol
LogP3.65
Rot. Bonds4

About methyl 3-(2-chlorophenyl)-5-[1-(3-hydroxycyclobutyl)-5-methylpyrazol-4-yl]-1,2-oxazole-4-carboxylate

methyl 3-(2-chlorophenyl)-5-[1-(3-hydroxycyclobutyl)-5-methylpyrazol-4-yl]-1,2-oxazole-4-carboxylate (PubChem CID 167186393) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is methyl 3-(2-chlorophenyl)-5-[1-(3-hydroxycyclobutyl)-5-methylpyrazol-4-yl]-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-chlorophenyl)-5-[1-(3-hydroxycyclobutyl)-5-methylpyrazol-4-yl]-1,2-oxazole-4-carboxylate
PubChem CID167186393
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC Namemethyl 3-(2-chlorophenyl)-5-[1-(3-hydroxycyclobutyl)-5-methylpyrazol-4-yl]-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2Cl)noc1-c1cnn(C2CC(O)C2)c1C
InChIInChI=1S/C19H18ClN3O4/c1-10-14(9-21-23(10)11-7-12(24)8-11)18-16(19(25)26-2)17(22-27-18)13-5-3-4-6-15(13)20/h3-6,9,11-12,24H,7-8H2,1-2H3
InChIKeyOTXNPQNVZPGMHM-UHFFFAOYSA-N
XLogP3.65
TPSA90.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-chlorophenyl)-N-(3-hydroxycyclohexyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 71786212
methyl 3-(2-chloro-6-fluorophenyl)-5-[1-(2,4-difluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxylate
CID 88850127
3-(2-chlorophenyl)-N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 95985195
methoxymethyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 9114662
3-(2-chlorophenyl)-N-(2-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2996672
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 743641
methyl 3-(2-chloro-6-fluorophenyl)-5-[1-[3-(4-chlorophenyl)-4-methoxycarbonyl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxylate
CID 86668513
3-(2-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 78886764
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164854
N-(5-chloro-2-methoxyphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1070119
(1Z)-2-chloro-N-hydroxybenzenecarboximidoyl chloride;methyl 3-(2-chlorophenyl)-5-cyclopropyl-1,2-oxazole-4-carboxylate;methyl 3-cyclopropyl-3-oxopropanoate
CID 172947608
N-(4-aminocyclohexyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119476843

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-chlorophenyl)-5-[1-(3-hydroxycyclobutyl)-5-methylpyrazol-4-yl]-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 3-(2-chlorophenyl)-5-[1-(3-hydroxycyclobutyl)-5-methylpyrazol-4-yl]-1,2-oxazole-4-carboxylate (CID 167186393) is methyl 3-(2-chlorophenyl)-5-[1-(3-hydroxycyclobutyl)-5-methylpyrazol-4-yl]-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 3-(2-chlorophenyl)-5-[1-(3-hydroxycyclobutyl)-5-methylpyrazol-4-yl]-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 3-(2-chlorophenyl)-5-[1-(3-hydroxycyclobutyl)-5-methylpyrazol-4-yl]-1,2-oxazole-4-carboxylate is COC(=O)c1c(-c2ccccc2Cl)noc1-c1cnn(C2CC(O)C2)c1C.
What is the InChIKey of methyl 3-(2-chlorophenyl)-5-[1-(3-hydroxycyclobutyl)-5-methylpyrazol-4-yl]-1,2-oxazole-4-carboxylate?
The InChIKey is OTXNPQNVZPGMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c1-10-14(9-21-23(10)11-7-12(24)8-11)18-16(19(25)26-2)17(22-27-18)13-5-3-4-6-15(13)20/h3-6,9,11-12,24H,7-8H2,1-2H3.
What are the key properties of methyl 3-(2-chlorophenyl)-5-[1-(3-hydroxycyclobutyl)-5-methylpyrazol-4-yl]-1,2-oxazole-4-carboxylate?
methyl 3-(2-chlorophenyl)-5-[1-(3-hydroxycyclobutyl)-5-methylpyrazol-4-yl]-1,2-oxazole-4-carboxylate has a molecular weight of 387.82 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-chlorophenyl)-5-[1-(3-hydroxycyclobutyl)-5-methylpyrazol-4-yl]-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 167186393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).