N-[(3-benzyl-1,2-oxazolidin-5-yl)methyl]thiophene-2-carboxamide

C16H18N2O2S — CID 155019206

IUPACN-[(3-benzyl-1,2-oxazolidin-5-yl)methyl]thiophene-2-carboxamide
SMILESO=C(NCC1CC(Cc2ccccc2)NO1)c1cccs1
InChIInChI=1S/C16H18N2O2S/c19-16(15-7-4-8-21-15)17-11-14-10-13(18-20-14)9-12-5-2-1-3-6-12/h1-8,13-14,18H,9-11H2,(H,17,19)
InChIKeyXFVVZVULSKPMJX-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.38
Rot. Bonds5

About N-[(3-benzyl-1,2-oxazolidin-5-yl)methyl]thiophene-2-carboxamide

N-[(3-benzyl-1,2-oxazolidin-5-yl)methyl]thiophene-2-carboxamide (PubChem CID 155019206) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[(3-benzyl-1,2-oxazolidin-5-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-benzyl-1,2-oxazolidin-5-yl)methyl]thiophene-2-carboxamide
PubChem CID155019206
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[(3-benzyl-1,2-oxazolidin-5-yl)methyl]thiophene-2-carboxamide
SMILESO=C(NCC1CC(Cc2ccccc2)NO1)c1cccs1
InChIInChI=1S/C16H18N2O2S/c19-16(15-7-4-8-21-15)17-11-14-10-13(18-20-14)9-12-5-2-1-3-6-12/h1-8,13-14,18H,9-11H2,(H,17,19)
InChIKeyXFVVZVULSKPMJX-UHFFFAOYSA-N
XLogP2.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 102548401
N-benzylthiophene-2-carboxamide
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CID 75536598
N-[2-(benzylamino)ethyl]thiophene-2-carboxamide
CID 47148638
N-(pyrrolidin-3-ylmethyl)thiophene-2-carboxamide
CID 71645410
N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide
CID 27227873
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]thiophene-2-carboxamide
CID 98153739
N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide
CID 25105717
N-[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 40972437
N-[(2S)-1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 38213779
N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]thiophene-2-carboxamide
CID 110723215
N-(3-phenyl-2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
CID 110403885

Frequently Asked Questions

What is the IUPAC name of N-[(3-benzyl-1,2-oxazolidin-5-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(3-benzyl-1,2-oxazolidin-5-yl)methyl]thiophene-2-carboxamide (CID 155019206) is N-[(3-benzyl-1,2-oxazolidin-5-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(3-benzyl-1,2-oxazolidin-5-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(3-benzyl-1,2-oxazolidin-5-yl)methyl]thiophene-2-carboxamide is O=C(NCC1CC(Cc2ccccc2)NO1)c1cccs1.
What is the InChIKey of N-[(3-benzyl-1,2-oxazolidin-5-yl)methyl]thiophene-2-carboxamide?
The InChIKey is XFVVZVULSKPMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-16(15-7-4-8-21-15)17-11-14-10-13(18-20-14)9-12-5-2-1-3-6-12/h1-8,13-14,18H,9-11H2,(H,17,19).
What are the key properties of N-[(3-benzyl-1,2-oxazolidin-5-yl)methyl]thiophene-2-carboxamide?
N-[(3-benzyl-1,2-oxazolidin-5-yl)methyl]thiophene-2-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-benzyl-1,2-oxazolidin-5-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 155019206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).