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

C21H20N6O2 — CID 44574375

IUPAC(2S)-2-amino-N-[[3-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)imidazol-1-yl]phenyl]methyl]propanamide
SMILESC[C@H](N)C(=O)NCc1cccc(-n2cncc2-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C21H20N6O2/c1-14(22)19(28)24-11-15-6-5-9-17(10-15)27-13-23-12-18(27)21-26-25-20(29-21)16-7-3-2-4-8-16/h2-10,12-14H,11,22H2,1H3,(H,24,28)/t14-/m0/s1
InChIKeyWVVLEGUSQWWYOH-AWEZNQCLSA-N
MW388.43 g/mol
LogP2.55
Rot. Bonds6

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

(2S)-2-amino-N-[[3-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)imidazol-1-yl]phenyl]methyl]propanamide (PubChem CID 44574375) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is (2S)-2-amino-N-[[3-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)imidazol-1-yl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[3-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)imidazol-1-yl]phenyl]methyl]propanamide
PubChem CID44574375
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name(2S)-2-amino-N-[[3-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)imidazol-1-yl]phenyl]methyl]propanamide
SMILESC[C@H](N)C(=O)NCc1cccc(-n2cncc2-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C21H20N6O2/c1-14(22)19(28)24-11-15-6-5-9-17(10-15)27-13-23-12-18(27)21-26-25-20(29-21)16-7-3-2-4-8-16/h2-10,12-14H,11,22H2,1H3,(H,24,28)/t14-/m0/s1
InChIKeyWVVLEGUSQWWYOH-AWEZNQCLSA-N
XLogP2.55
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.55
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-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)imidazol-1-yl]phenyl]methyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[[3-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)imidazol-1-yl]phenyl]methyl]propanamide (CID 44574375) is (2S)-2-amino-N-[[3-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)imidazol-1-yl]phenyl]methyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[[3-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)imidazol-1-yl]phenyl]methyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[[3-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)imidazol-1-yl]phenyl]methyl]propanamide is C[C@H](N)C(=O)NCc1cccc(-n2cncc2-c2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of (2S)-2-amino-N-[[3-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)imidazol-1-yl]phenyl]methyl]propanamide?
The InChIKey is WVVLEGUSQWWYOH-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-14(22)19(28)24-11-15-6-5-9-17(10-15)27-13-23-12-18(27)21-26-25-20(29-21)16-7-3-2-4-8-16/h2-10,12-14H,11,22H2,1H3,(H,24,28)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[3-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)imidazol-1-yl]phenyl]methyl]propanamide?
(2S)-2-amino-N-[[3-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)imidazol-1-yl]phenyl]methyl]propanamide has a molecular weight of 388.43 g/mol, XLogP of 2.55, 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-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)imidazol-1-yl]phenyl]methyl]propanamide is sourced from PubChem (CID 44574375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).