5-(5-chlorothiophen-2-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide

C16H20ClN3O3S — CID 120888871

IUPAC5-(5-chlorothiophen-2-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCOCC1(CNC(=O)c2cc(-c3ccc(Cl)s3)on2)CCNCC1
InChIInChI=1S/C16H20ClN3O3S/c1-22-10-16(4-6-18-7-5-16)9-19-15(21)11-8-12(23-20-11)13-2-3-14(17)24-13/h2-3,8,18H,4-7,9-10H2,1H3,(H,19,21)
InChIKeyAOTWPSCBKGHKDW-UHFFFAOYSA-N
MW369.87 g/mol
LogP2.80
Rot. Bonds6

About 5-(5-chlorothiophen-2-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide

5-(5-chlorothiophen-2-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 120888871) has the molecular formula C16H20ClN3O3S and a molecular weight of 369.87 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID120888871
Molecular FormulaC16H20ClN3O3S
Molecular Weight369.87 g/mol
Exact Mass369.09
IUPAC Name5-(5-chlorothiophen-2-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCOCC1(CNC(=O)c2cc(-c3ccc(Cl)s3)on2)CCNCC1
InChIInChI=1S/C16H20ClN3O3S/c1-22-10-16(4-6-18-7-5-16)9-19-15(21)11-8-12(23-20-11)13-2-3-14(17)24-13/h2-3,8,18H,4-7,9-10H2,1H3,(H,19,21)
InChIKeyAOTWPSCBKGHKDW-UHFFFAOYSA-N
XLogP2.80
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(furan-2-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 120891466
2-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 120888047
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 120887840
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 120889500
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120889232
5-(5-chlorothiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 119510511
5-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 120889009
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 120892014
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 120888556
5-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide
CID 111433417
5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 120890188
5-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylthiophene-2-carboxamide
CID 120888783

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide (CID 120888871) is 5-(5-chlorothiophen-2-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide is COCC1(CNC(=O)c2cc(-c3ccc(Cl)s3)on2)CCNCC1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is AOTWPSCBKGHKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3S/c1-22-10-16(4-6-18-7-5-16)9-19-15(21)11-8-12(23-20-11)13-2-3-14(17)24-13/h2-3,8,18H,4-7,9-10H2,1H3,(H,19,21).
What are the key properties of 5-(5-chlorothiophen-2-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
5-(5-chlorothiophen-2-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 369.87 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 120888871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).