(2S)-2-amino-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-phenylpropanamide

C20H21N3O3 — CID 51050743

IUPAC(2S)-2-amino-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-phenylpropanamide
SMILESCOc1ccc(-c2cc(CNC(=O)[C@@H](N)Cc3ccccc3)on2)cc1
InChIInChI=1S/C20H21N3O3/c1-25-16-9-7-15(8-10-16)19-12-17(26-23-19)13-22-20(24)18(21)11-14-5-3-2-4-6-14/h2-10,12,18H,11,13,21H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyQWBFVBZLYKQEBV-SFHVURJKSA-N
MW351.41 g/mol
LogP2.54
Rot. Bonds7

About (2S)-2-amino-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-phenylpropanamide

(2S)-2-amino-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-phenylpropanamide (PubChem CID 51050743) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is (2S)-2-amino-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-phenylpropanamide
PubChem CID51050743
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name(2S)-2-amino-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-phenylpropanamide
SMILESCOc1ccc(-c2cc(CNC(=O)[C@@H](N)Cc3ccccc3)on2)cc1
InChIInChI=1S/C20H21N3O3/c1-25-16-9-7-15(8-10-16)19-12-17(26-23-19)13-22-20(24)18(21)11-14-5-3-2-4-6-14/h2-10,12,18H,11,13,21H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyQWBFVBZLYKQEBV-SFHVURJKSA-N
XLogP2.54
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-phenylpropanamide (CID 51050743) is (2S)-2-amino-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-phenylpropanamide is COc1ccc(-c2cc(CNC(=O)[C@@H](N)Cc3ccccc3)on2)cc1.
What is the InChIKey of (2S)-2-amino-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-phenylpropanamide?
The InChIKey is QWBFVBZLYKQEBV-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-25-16-9-7-15(8-10-16)19-12-17(26-23-19)13-22-20(24)18(21)11-14-5-3-2-4-6-14/h2-10,12,18H,11,13,21H2,1H3,(H,22,24)/t18-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-phenylpropanamide?
(2S)-2-amino-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-phenylpropanamide has a molecular weight of 351.41 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 51050743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).