N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-4-propylthiadiazole-5-carboxamide

C18H18N4O3S — CID 90551435

IUPACN-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCC#Cc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C18H18N4O3S/c1-2-4-15-16(26-21-20-15)17(23)19-10-3-5-13-6-8-14(9-7-13)22-11-12-25-18(22)24/h6-9H,2,4,10-12H2,1H3,(H,19,23)
InChIKeyQVUWTJMHPJPPRJ-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.23
Rot. Bonds5

About N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-4-propylthiadiazole-5-carboxamide

N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-4-propylthiadiazole-5-carboxamide (PubChem CID 90551435) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-4-propylthiadiazole-5-carboxamide
PubChem CID90551435
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCC#Cc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C18H18N4O3S/c1-2-4-15-16(26-21-20-15)17(23)19-10-3-5-13-6-8-14(9-7-13)22-11-12-25-18(22)24/h6-9H,2,4,10-12H2,1H3,(H,19,23)
InChIKeyQVUWTJMHPJPPRJ-UHFFFAOYSA-N
XLogP2.23
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-4-propylthiadiazole-5-carboxamide
CID 90551159
N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]propanamide
CID 90551244
5-bromo-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]furan-2-carboxamide
CID 90551368
N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-1,3-benzodioxole-5-carboxamide
CID 90551288
2-bromo-5-methoxy-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]benzamide
CID 90551222
N-[3-(3-chlorophenyl)prop-2-ynyl]-4-propylthiadiazole-5-carboxamide
CID 90548538
1-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-3-phenylurea
CID 90554045
N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-3H-benzimidazole-5-carboxamide
CID 90551217
1-benzhydryl-3-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]urea
CID 90554079
1-(2-ethoxyphenyl)-3-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]urea
CID 90554067
1-(4-fluorophenyl)-5-oxo-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]pyrrolidine-3-carboxamide
CID 90551382
2-(benzimidazol-1-yl)-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]acetamide
CID 90551196

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-4-propylthiadiazole-5-carboxamide (CID 90551435) is N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCC#Cc1ccc(N2CCOC2=O)cc1.
What is the InChIKey of N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-4-propylthiadiazole-5-carboxamide?
The InChIKey is QVUWTJMHPJPPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-2-4-15-16(26-21-20-15)17(23)19-10-3-5-13-6-8-14(9-7-13)22-11-12-25-18(22)24/h6-9H,2,4,10-12H2,1H3,(H,19,23).
What are the key properties of N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-4-propylthiadiazole-5-carboxamide?
N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-4-propylthiadiazole-5-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 90551435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).