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

C23H25N3O3S — CID 10310068

IUPACN-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NCc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1
InChIInChI=1S/C23H25N3O3S/c27-21(11-10-19-5-4-14-30-19)24-15-17-6-8-18(9-7-17)22-25-20(16-29-22)23(28)26-12-2-1-3-13-26/h4-9,14,16H,1-3,10-13,15H2,(H,24,27)
InChIKeyFETVMDMQGRMEIQ-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.28
Rot. Bonds7

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

N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-3-thiophen-2-ylpropanamide (PubChem CID 10310068) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-3-thiophen-2-ylpropanamide
PubChem CID10310068
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NCc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1
InChIInChI=1S/C23H25N3O3S/c27-21(11-10-19-5-4-14-30-19)24-15-17-6-8-18(9-7-17)22-25-20(16-29-22)23(28)26-12-2-1-3-13-26/h4-9,14,16H,1-3,10-13,15H2,(H,24,27)
InChIKeyFETVMDMQGRMEIQ-UHFFFAOYSA-N
XLogP4.28
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-3-thiophen-2-ylpropanamide (CID 10310068) is N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)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]-3-thiophen-2-ylpropanamide?
The InChIKey is FETVMDMQGRMEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c27-21(11-10-19-5-4-14-30-19)24-15-17-6-8-18(9-7-17)22-25-20(16-29-22)23(28)26-12-2-1-3-13-26/h4-9,14,16H,1-3,10-13,15H2,(H,24,27).
What are the key properties of N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-3-thiophen-2-ylpropanamide?
N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-3-thiophen-2-ylpropanamide has a molecular weight of 423.54 g/mol, XLogP of 4.28, 7 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]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 10310068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).