N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-4-thiophen-2-ylbutanamide

C24H27N3O3S — CID 10310283

IUPACN-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NCc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1
InChIInChI=1S/C24H27N3O3S/c28-22(8-4-6-20-7-5-15-31-20)25-16-18-9-11-19(12-10-18)23-26-21(17-30-23)24(29)27-13-2-1-3-14-27/h5,7,9-12,15,17H,1-4,6,8,13-14,16H2,(H,25,28)
InChIKeyPCSJPTWPRAKPTE-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.67
Rot. Bonds8

About N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-4-thiophen-2-ylbutanamide

N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-4-thiophen-2-ylbutanamide (PubChem CID 10310283) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-4-thiophen-2-ylbutanamide
PubChem CID10310283
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NCc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1
InChIInChI=1S/C24H27N3O3S/c28-22(8-4-6-20-7-5-15-31-20)25-16-18-9-11-19(12-10-18)23-26-21(17-30-23)24(29)27-13-2-1-3-14-27/h5,7,9-12,15,17H,1-4,6,8,13-14,16H2,(H,25,28)
InChIKeyPCSJPTWPRAKPTE-UHFFFAOYSA-N
XLogP4.67
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10126996
2-phenyl-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 10150826
N-[[4-[4-(3-hydroxypiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10151034
N-[[4-[4-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10173001
N-[[4-[4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10173261
2-(4-methylphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 10194571
N-[[4-[4-(4-hydroxypiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10194598
2-phenyl-N-[[4-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 10309516
N-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10309963
N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-3-thiophen-2-ylpropanamide
CID 10310068
N-[[4-[4-(3-chloropiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 44415562
2-(2-fluorophenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 44415617

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-4-thiophen-2-ylbutanamide (CID 10310283) is N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)NCc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1.
What is the InChIKey of N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-4-thiophen-2-ylbutanamide?
The InChIKey is PCSJPTWPRAKPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c28-22(8-4-6-20-7-5-15-31-20)25-16-18-9-11-19(12-10-18)23-26-21(17-30-23)24(29)27-13-2-1-3-14-27/h5,7,9-12,15,17H,1-4,6,8,13-14,16H2,(H,25,28).
What are the key properties of N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-4-thiophen-2-ylbutanamide?
N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-4-thiophen-2-ylbutanamide has a molecular weight of 437.57 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 10310283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).