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

C26H29N3O3 — CID 10127230

IUPAC2-methyl-3-phenyl-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide
SMILESCC(Cc1ccccc1)C(=O)NCc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1
InChIInChI=1S/C26H29N3O3/c1-19(16-20-8-4-2-5-9-20)24(30)27-17-21-10-12-22(13-11-21)25-28-23(18-32-25)26(31)29-14-6-3-7-15-29/h2,4-5,8-13,18-19H,3,6-7,14-17H2,1H3,(H,27,30)
InChIKeyJQKSHZKVIZQGEK-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.46
Rot. Bonds7

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

2-methyl-3-phenyl-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide (PubChem CID 10127230) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-methyl-3-phenyl-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-3-phenyl-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide
PubChem CID10127230
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name2-methyl-3-phenyl-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide
SMILESCC(Cc1ccccc1)C(=O)NCc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1
InChIInChI=1S/C26H29N3O3/c1-19(16-20-8-4-2-5-9-20)24(30)27-17-21-10-12-22(13-11-21)25-28-23(18-32-25)26(31)29-14-6-3-7-15-29/h2,4-5,8-13,18-19H,3,6-7,14-17H2,1H3,(H,27,30)
InChIKeyJQKSHZKVIZQGEK-UHFFFAOYSA-N
XLogP4.46
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide?
The IUPAC name of 2-methyl-3-phenyl-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide (CID 10127230) is 2-methyl-3-phenyl-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide.
What is the SMILES notation for 2-methyl-3-phenyl-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide?
The canonical SMILES for 2-methyl-3-phenyl-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide is CC(Cc1ccccc1)C(=O)NCc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1.
What is the InChIKey of 2-methyl-3-phenyl-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide?
The InChIKey is JQKSHZKVIZQGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-19(16-20-8-4-2-5-9-20)24(30)27-17-21-10-12-22(13-11-21)25-28-23(18-32-25)26(31)29-14-6-3-7-15-29/h2,4-5,8-13,18-19H,3,6-7,14-17H2,1H3,(H,27,30).
What are the key properties of 2-methyl-3-phenyl-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide?
2-methyl-3-phenyl-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide has a molecular weight of 431.54 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide is sourced from PubChem (CID 10127230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).