methyl 5-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylate

C19H18N2O4S — CID 35186967

IUPACmethyl 5-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)s1
InChIInChI=1S/C19H18N2O4S/c1-24-19(23)16-7-6-15(26-16)18(22)21-10-8-12(9-11-21)17-20-13-4-2-3-5-14(13)25-17/h2-7,12H,8-11H2,1H3
InChIKeyHHXUXPMZTBYJTP-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.70
Rot. Bonds3

About methyl 5-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylate

methyl 5-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylate (PubChem CID 35186967) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is methyl 5-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylate
PubChem CID35186967
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Namemethyl 5-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)s1
InChIInChI=1S/C19H18N2O4S/c1-24-19(23)16-7-6-15(26-16)18(22)21-10-8-12(9-11-21)17-20-13-4-2-3-5-14(13)25-17/h2-7,12H,8-11H2,1H3
InChIKeyHHXUXPMZTBYJTP-UHFFFAOYSA-N
XLogP3.70
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methanone
CID 31187508
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
CID 9203907
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-thieno[3,2-b][1]benzothiol-2-ylmethanone
CID 24503507
methyl 5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylate
CID 134057736
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone
CID 55330129
4-(1,3-benzoxazol-2-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide
CID 18532742
4-(1,3-benzoxazol-2-yl)-N-propylpiperidine-1-carboxamide
CID 3761940
ethyl 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoacetate
CID 21007968
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone
CID 51144949
1-[4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]-3-phenylurea
CID 39952257
4-(1,3-benzoxazol-2-yl)-N-(2,6-dimethylphenyl)piperidine-1-carboxamide
CID 644531
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4-nitrophenyl)methanone
CID 17011771

Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylate (CID 35186967) is methyl 5-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylate is COC(=O)c1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)s1.
What is the InChIKey of methyl 5-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylate?
The InChIKey is HHXUXPMZTBYJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-24-19(23)16-7-6-15(26-16)18(22)21-10-8-12(9-11-21)17-20-13-4-2-3-5-14(13)25-17/h2-7,12H,8-11H2,1H3.
What are the key properties of methyl 5-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylate?
methyl 5-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylate has a molecular weight of 370.43 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylate is sourced from PubChem (CID 35186967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).