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

C25H27N3O3 — CID 10309963

IUPACN-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCc1ccc(-c2nc(C(=O)N3CCCCCC3)co2)cc1
InChIInChI=1S/C25H27N3O3/c29-23(16-19-8-4-3-5-9-19)26-17-20-10-12-21(13-11-20)24-27-22(18-31-24)25(30)28-14-6-1-2-7-15-28/h3-5,8-13,18H,1-2,6-7,14-17H2,(H,26,29)
InChIKeyMVQUTGFENRLOOK-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.22
Rot. Bonds6

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

N-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide (PubChem CID 10309963) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
PubChem CID10309963
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCc1ccc(-c2nc(C(=O)N3CCCCCC3)co2)cc1
InChIInChI=1S/C25H27N3O3/c29-23(16-19-8-4-3-5-9-19)26-17-20-10-12-21(13-11-20)24-27-22(18-31-24)25(30)28-14-6-1-2-7-15-28/h3-5,8-13,18H,1-2,6-7,14-17H2,(H,26,29)
InChIKeyMVQUTGFENRLOOK-UHFFFAOYSA-N
XLogP4.22
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide?
The IUPAC name of N-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide (CID 10309963) is N-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide?
The canonical SMILES for N-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCc1ccc(-c2nc(C(=O)N3CCCCCC3)co2)cc1.
What is the InChIKey of N-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide?
The InChIKey is MVQUTGFENRLOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c29-23(16-19-8-4-3-5-9-19)26-17-20-10-12-21(13-11-20)24-27-22(18-31-24)25(30)28-14-6-1-2-7-15-28/h3-5,8-13,18H,1-2,6-7,14-17H2,(H,26,29).
What are the key properties of N-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide?
N-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide has a molecular weight of 417.51 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide is sourced from PubChem (CID 10309963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).