4-phenyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxane-4-carboxamide

C19H20N4O2S — CID 122275716

IUPAC4-phenyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxane-4-carboxamide
SMILESO=C(NCc1cn(-c2ccsc2)nn1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H20N4O2S/c24-18(19(7-9-25-10-8-19)15-4-2-1-3-5-15)20-12-16-13-23(22-21-16)17-6-11-26-14-17/h1-6,11,13-14H,7-10,12H2,(H,20,24)
InChIKeyFXNOHUZRVBCXSC-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.69
Rot. Bonds5

About 4-phenyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxane-4-carboxamide

4-phenyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxane-4-carboxamide (PubChem CID 122275716) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-phenyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxane-4-carboxamide
PubChem CID122275716
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name4-phenyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxane-4-carboxamide
SMILESO=C(NCc1cn(-c2ccsc2)nn1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H20N4O2S/c24-18(19(7-9-25-10-8-19)15-4-2-1-3-5-15)20-12-16-13-23(22-21-16)17-6-11-26-14-17/h1-6,11,13-14H,7-10,12H2,(H,20,24)
InChIKeyFXNOHUZRVBCXSC-UHFFFAOYSA-N
XLogP2.69
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,6-difluorophenyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
CID 122275994
N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxolane-3-carboxamide
CID 122275874
N-[(1-thiophen-3-yltriazol-4-yl)methyl]thiophene-2-carboxamide
CID 122162192
N-[(4-morpholin-4-ylphenyl)methyl]-4-phenyloxane-4-carboxamide
CID 56922873
2-[4-[[(1-phenylcyclobutanecarbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 120698595
1-(1-adamantyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
CID 122275978
2-ethyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]butanamide
CID 122275830
2-[[(4-phenyloxane-4-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245095
N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenyloxane-4-carboxamide
CID 90583951
2-(1H-indol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
CID 122275829
3-(3,4-dichlorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide
CID 122275740
2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
CID 122275655

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-phenyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxane-4-carboxamide (CID 122275716) is 4-phenyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-phenyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-phenyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxane-4-carboxamide is O=C(NCc1cn(-c2ccsc2)nn1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of 4-phenyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxane-4-carboxamide?
The InChIKey is FXNOHUZRVBCXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c24-18(19(7-9-25-10-8-19)15-4-2-1-3-5-15)20-12-16-13-23(22-21-16)17-6-11-26-14-17/h1-6,11,13-14H,7-10,12H2,(H,20,24).
What are the key properties of 4-phenyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxane-4-carboxamide?
4-phenyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxane-4-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 122275716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).