(2S)-2-amino-N-[[3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-oxazol-5-yl]phenyl]methyl]propanamide

C21H19N5O3 — CID 44574374

IUPAC(2S)-2-amino-N-[[3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-oxazol-5-yl]phenyl]methyl]propanamide
SMILESC[C@H](N)C(=O)NCc1cccc(-c2ocnc2-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C21H19N5O3/c1-13(22)19(27)23-11-14-6-5-9-16(10-14)18-17(24-12-28-18)21-26-25-20(29-21)15-7-3-2-4-8-15/h2-10,12-13H,11,22H2,1H3,(H,23,27)/t13-/m0/s1
InChIKeyOOJBWOXELLDMMU-ZDUSSCGKSA-N
MW389.42 g/mol
LogP3.02
Rot. Bonds6

About (2S)-2-amino-N-[[3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-oxazol-5-yl]phenyl]methyl]propanamide

(2S)-2-amino-N-[[3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-oxazol-5-yl]phenyl]methyl]propanamide (PubChem CID 44574374) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is (2S)-2-amino-N-[[3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-oxazol-5-yl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-oxazol-5-yl]phenyl]methyl]propanamide
PubChem CID44574374
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name(2S)-2-amino-N-[[3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-oxazol-5-yl]phenyl]methyl]propanamide
SMILESC[C@H](N)C(=O)NCc1cccc(-c2ocnc2-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C21H19N5O3/c1-13(22)19(27)23-11-14-6-5-9-16(10-14)18-17(24-12-28-18)21-26-25-20(29-21)15-7-3-2-4-8-15/h2-10,12-13H,11,22H2,1H3,(H,23,27)/t13-/m0/s1
InChIKeyOOJBWOXELLDMMU-ZDUSSCGKSA-N
XLogP3.02
TPSA120.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-oxazol-5-yl]phenyl]methyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[[3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-oxazol-5-yl]phenyl]methyl]propanamide (CID 44574374) is (2S)-2-amino-N-[[3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-oxazol-5-yl]phenyl]methyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[[3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-oxazol-5-yl]phenyl]methyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[[3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-oxazol-5-yl]phenyl]methyl]propanamide is C[C@H](N)C(=O)NCc1cccc(-c2ocnc2-c2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of (2S)-2-amino-N-[[3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-oxazol-5-yl]phenyl]methyl]propanamide?
The InChIKey is OOJBWOXELLDMMU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-13(22)19(27)23-11-14-6-5-9-16(10-14)18-17(24-12-28-18)21-26-25-20(29-21)15-7-3-2-4-8-15/h2-10,12-13H,11,22H2,1H3,(H,23,27)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-oxazol-5-yl]phenyl]methyl]propanamide?
(2S)-2-amino-N-[[3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-oxazol-5-yl]phenyl]methyl]propanamide has a molecular weight of 389.42 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-oxazol-5-yl]phenyl]methyl]propanamide is sourced from PubChem (CID 44574374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).