(2S)-2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]-3-phenylpropanamide

C28H29N3O6 — CID 71503373

IUPAC(2S)-2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]-3-phenylpropanamide
SMILESCOc1ccc(-c2cnoc2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C28H29N3O6/c1-33-23-11-10-18(13-22(23)31-28(32)21(29)12-17-8-6-5-7-9-17)20-16-30-37-26(20)19-14-24(34-2)27(36-4)25(15-19)35-3/h5-11,13-16,21H,12,29H2,1-4H3,(H,31,32)/t21-/m0/s1
InChIKeyLHNWLQKEKCACGW-NRFANRHFSA-N
MW503.56 g/mol
LogP4.55
Rot. Bonds10

About (2S)-2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]-3-phenylpropanamide

(2S)-2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]-3-phenylpropanamide (PubChem CID 71503373) has the molecular formula C28H29N3O6 and a molecular weight of 503.56 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]-3-phenylpropanamide
PubChem CID71503373
Molecular FormulaC28H29N3O6
Molecular Weight503.56 g/mol
Exact Mass503.21
IUPAC Name(2S)-2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]-3-phenylpropanamide
SMILESCOc1ccc(-c2cnoc2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C28H29N3O6/c1-33-23-11-10-18(13-22(23)31-28(32)21(29)12-17-8-6-5-7-9-17)20-16-30-37-26(20)19-14-24(34-2)27(36-4)25(15-19)35-3/h5-11,13-16,21H,12,29H2,1-4H3,(H,31,32)/t21-/m0/s1
InChIKeyLHNWLQKEKCACGW-NRFANRHFSA-N
XLogP4.55
TPSA118.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.56
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2S)-2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]-3-phenylpropanamide (CID 71503373) is (2S)-2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]-3-phenylpropanamide is COc1ccc(-c2cnoc2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]-3-phenylpropanamide?
The InChIKey is LHNWLQKEKCACGW-NRFANRHFSA-N. The full InChI is InChI=1S/C28H29N3O6/c1-33-23-11-10-18(13-22(23)31-28(32)21(29)12-17-8-6-5-7-9-17)20-16-30-37-26(20)19-14-24(34-2)27(36-4)25(15-19)35-3/h5-11,13-16,21H,12,29H2,1-4H3,(H,31,32)/t21-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]-3-phenylpropanamide?
(2S)-2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]-3-phenylpropanamide has a molecular weight of 503.56 g/mol, XLogP of 4.55, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 71503373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).