N-[[4-[[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]-methylamino]methyl]phenyl]methyl]propanamide

C20H25N3O3 — CID 166370553

IUPACN-[[4-[[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]-methylamino]methyl]phenyl]methyl]propanamide
SMILESCCC(=O)NCc1ccc(CN(C)C(=O)Cc2cc(C3CC3)on2)cc1
InChIInChI=1S/C20H25N3O3/c1-3-19(24)21-12-14-4-6-15(7-5-14)13-23(2)20(25)11-17-10-18(26-22-17)16-8-9-16/h4-7,10,16H,3,8-9,11-13H2,1-2H3,(H,21,24)
InChIKeyGEPQRJCZAISIHT-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.78
Rot. Bonds8

About N-[[4-[[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]-methylamino]methyl]phenyl]methyl]propanamide

N-[[4-[[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]-methylamino]methyl]phenyl]methyl]propanamide (PubChem CID 166370553) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[[4-[[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]-methylamino]methyl]phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[4-[[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]-methylamino]methyl]phenyl]methyl]propanamide
PubChem CID166370553
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[[4-[[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]-methylamino]methyl]phenyl]methyl]propanamide
SMILESCCC(=O)NCc1ccc(CN(C)C(=O)Cc2cc(C3CC3)on2)cc1
InChIInChI=1S/C20H25N3O3/c1-3-19(24)21-12-14-4-6-15(7-5-14)13-23(2)20(25)11-17-10-18(26-22-17)16-8-9-16/h4-7,10,16H,3,8-9,11-13H2,1-2H3,(H,21,24)
InChIKeyGEPQRJCZAISIHT-UHFFFAOYSA-N
XLogP2.78
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]-methylamino]methyl]phenyl]methyl]propanamide?
The IUPAC name of N-[[4-[[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]-methylamino]methyl]phenyl]methyl]propanamide (CID 166370553) is N-[[4-[[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]-methylamino]methyl]phenyl]methyl]propanamide.
What is the SMILES notation for N-[[4-[[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]-methylamino]methyl]phenyl]methyl]propanamide?
The canonical SMILES for N-[[4-[[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]-methylamino]methyl]phenyl]methyl]propanamide is CCC(=O)NCc1ccc(CN(C)C(=O)Cc2cc(C3CC3)on2)cc1.
What is the InChIKey of N-[[4-[[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]-methylamino]methyl]phenyl]methyl]propanamide?
The InChIKey is GEPQRJCZAISIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-3-19(24)21-12-14-4-6-15(7-5-14)13-23(2)20(25)11-17-10-18(26-22-17)16-8-9-16/h4-7,10,16H,3,8-9,11-13H2,1-2H3,(H,21,24).
What are the key properties of N-[[4-[[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]-methylamino]methyl]phenyl]methyl]propanamide?
N-[[4-[[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]-methylamino]methyl]phenyl]methyl]propanamide has a molecular weight of 355.44 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]-methylamino]methyl]phenyl]methyl]propanamide is sourced from PubChem (CID 166370553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).