N-[[(3R)-1-(5-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide

C21H21N3O3S — CID 97271529

IUPACN-[[(3R)-1-(5-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H]1CCCN(C(=O)c2cnoc2-c2ccccc2)C1)c1cccs1
InChIInChI=1S/C21H21N3O3S/c25-20(18-9-5-11-28-18)22-12-15-6-4-10-24(14-15)21(26)17-13-23-27-19(17)16-7-2-1-3-8-16/h1-3,5,7-9,11,13,15H,4,6,10,12,14H2,(H,22,25)/t15-/m1/s1
InChIKeyUPQYVGNUMUVYDK-OAHLLOKOSA-N
MW395.48 g/mol
LogP3.69
Rot. Bonds5

About N-[[(3R)-1-(5-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide

N-[[(3R)-1-(5-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide (PubChem CID 97271529) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[[(3R)-1-(5-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-(5-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide
PubChem CID97271529
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-[[(3R)-1-(5-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H]1CCCN(C(=O)c2cnoc2-c2ccccc2)C1)c1cccs1
InChIInChI=1S/C21H21N3O3S/c25-20(18-9-5-11-28-18)22-12-15-6-4-10-24(14-15)21(26)17-13-23-27-19(17)16-7-2-1-3-8-16/h1-3,5,7-9,11,13,15H,4,6,10,12,14H2,(H,22,25)/t15-/m1/s1
InChIKeyUPQYVGNUMUVYDK-OAHLLOKOSA-N
XLogP3.69
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(3R)-1-(5-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide with MolForge

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Related Compounds

2-[1-(thiophene-2-carbonyl)piperidin-3-yl]acetic acid
CID 62690225
N-[[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 72870683
(5-phenyl-1,2-oxazol-4-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 74231447
[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-thiophen-2-ylmethanone;hydrochloride
CID 119398089
N-[[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide;hydrochloride
CID 119397160
N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 42404413
N-[[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 131913902
[(3R)-3-[[(7-fluoro-1,3-benzoxazol-2-yl)amino]methyl]pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone
CID 67043024
N-[[(3R)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 26320170
N-cyclopropyl-2-[[1-(thiophene-2-carbonyl)piperidin-3-yl]methoxy]benzamide
CID 163339679
[3-(cyclopentylmethylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 83997879
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 43422304

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(5-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[(3R)-1-(5-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide (CID 97271529) is N-[[(3R)-1-(5-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[(3R)-1-(5-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[(3R)-1-(5-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide is O=C(NC[C@H]1CCCN(C(=O)c2cnoc2-c2ccccc2)C1)c1cccs1.
What is the InChIKey of N-[[(3R)-1-(5-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide?
The InChIKey is UPQYVGNUMUVYDK-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H21N3O3S/c25-20(18-9-5-11-28-18)22-12-15-6-4-10-24(14-15)21(26)17-13-23-27-19(17)16-7-2-1-3-8-16/h1-3,5,7-9,11,13,15H,4,6,10,12,14H2,(H,22,25)/t15-/m1/s1.
What are the key properties of N-[[(3R)-1-(5-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide?
N-[[(3R)-1-(5-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(5-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 97271529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).