methyl 5-(5-chlorothiophen-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate

C10H10ClNO3S — CID 139762891

IUPACmethyl 5-(5-chlorothiophen-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)C1N=C(C)OC1c1ccc(Cl)s1
InChIInChI=1S/C10H10ClNO3S/c1-5-12-8(10(13)14-2)9(15-5)6-3-4-7(11)16-6/h3-4,8-9H,1-2H3
InChIKeyKAANGXPDIOGMBV-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.43
Rot. Bonds2

About methyl 5-(5-chlorothiophen-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate

methyl 5-(5-chlorothiophen-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 139762891) has the molecular formula C10H10ClNO3S and a molecular weight of 259.71 g/mol. Its IUPAC name is methyl 5-(5-chlorothiophen-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(5-chlorothiophen-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID139762891
Molecular FormulaC10H10ClNO3S
Molecular Weight259.71 g/mol
Exact Mass259.01
IUPAC Namemethyl 5-(5-chlorothiophen-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)C1N=C(C)OC1c1ccc(Cl)s1
InChIInChI=1S/C10H10ClNO3S/c1-5-12-8(10(13)14-2)9(15-5)6-3-4-7(11)16-6/h3-4,8-9H,1-2H3
InChIKeyKAANGXPDIOGMBV-UHFFFAOYSA-N
XLogP2.43
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-(5-chlorothiophen-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate with MolForge

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Related Compounds

benzyl 5-[5-(chloromethyl)thiophen-2-yl]-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 139762809
methyl 2-methyl-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 139762760
methyl 2-methyl-5-(1-methylindol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 139762872
methyl 5-(6-bromo-2-ethyl-1,3-benzodioxol-5-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 139711393
ethyl (4R,5R)-5-(5-chlorothiophen-2-yl)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 122644435
ethyl 5-(4-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 139762859
(4S,5S)-5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazolidin-2-one
CID 67066013
methyl 2-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylate
CID 10060402
methyl (4S,5R)-5-(5-methylfuran-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 139762759
(4S,5S)-5-(5-chlorothiophen-2-yl)-3-ethyl-4-methyl-1,3-oxazolidin-2-one
CID 70899629
methyl (6R)-6-(5-chlorothiophen-2-yl)-3-(2-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 41462930
methyl 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine-2-carboxylate
CID 55134425

Frequently Asked Questions

What is the IUPAC name of methyl 5-(5-chlorothiophen-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 5-(5-chlorothiophen-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 139762891) is methyl 5-(5-chlorothiophen-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-(5-chlorothiophen-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-(5-chlorothiophen-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate is COC(=O)C1N=C(C)OC1c1ccc(Cl)s1.
What is the InChIKey of methyl 5-(5-chlorothiophen-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is KAANGXPDIOGMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3S/c1-5-12-8(10(13)14-2)9(15-5)6-3-4-7(11)16-6/h3-4,8-9H,1-2H3.
What are the key properties of methyl 5-(5-chlorothiophen-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
methyl 5-(5-chlorothiophen-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 259.71 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(5-chlorothiophen-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 139762891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).