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

C23H23N3O3 — CID 10309516

IUPAC2-phenyl-N-[[4-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
SMILESO=C(Cc1ccccc1)NCc1ccc(-c2nc(C(=O)N3CCCC3)co2)cc1
InChIInChI=1S/C23H23N3O3/c27-21(14-17-6-2-1-3-7-17)24-15-18-8-10-19(11-9-18)22-25-20(16-29-22)23(28)26-12-4-5-13-26/h1-3,6-11,16H,4-5,12-15H2,(H,24,27)
InChIKeyIBCAUSMSEBBDBE-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.44
Rot. Bonds6

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

2-phenyl-N-[[4-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide (PubChem CID 10309516) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-phenyl-N-[[4-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[[4-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
PubChem CID10309516
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name2-phenyl-N-[[4-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
SMILESO=C(Cc1ccccc1)NCc1ccc(-c2nc(C(=O)N3CCCC3)co2)cc1
InChIInChI=1S/C23H23N3O3/c27-21(14-17-6-2-1-3-7-17)24-15-18-8-10-19(11-9-18)22-25-20(16-29-22)23(28)26-12-4-5-13-26/h1-3,6-11,16H,4-5,12-15H2,(H,24,27)
InChIKeyIBCAUSMSEBBDBE-UHFFFAOYSA-N
XLogP3.44
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[[4-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide?
The IUPAC name of 2-phenyl-N-[[4-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide (CID 10309516) is 2-phenyl-N-[[4-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[[4-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide?
The canonical SMILES for 2-phenyl-N-[[4-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide is O=C(Cc1ccccc1)NCc1ccc(-c2nc(C(=O)N3CCCC3)co2)cc1.
What is the InChIKey of 2-phenyl-N-[[4-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide?
The InChIKey is IBCAUSMSEBBDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-21(14-17-6-2-1-3-7-17)24-15-18-8-10-19(11-9-18)22-25-20(16-29-22)23(28)26-12-4-5-13-26/h1-3,6-11,16H,4-5,12-15H2,(H,24,27).
What are the key properties of 2-phenyl-N-[[4-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide?
2-phenyl-N-[[4-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide has a molecular weight of 389.46 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[[4-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 10309516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).