(4S)-4-amino-4-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]butanamide

C12H13BrN4O2 — CID 175913468

IUPAC(4S)-4-amino-4-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]butanamide
SMILESNC(=O)CC[C@H](N)c1nnc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C12H13BrN4O2/c13-8-3-1-7(2-4-8)11-16-17-12(19-11)9(14)5-6-10(15)18/h1-4,9H,5-6,14H2,(H2,15,18)/t9-/m0/s1
InChIKeyDLUPASWEWNTUMF-VIFPVBQESA-N
MW325.17 g/mol
LogP1.76
Rot. Bonds5

About (4S)-4-amino-4-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]butanamide

(4S)-4-amino-4-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]butanamide (PubChem CID 175913468) has the molecular formula C12H13BrN4O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is (4S)-4-amino-4-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]butanamide.

Molecular Properties

Compound Name(4S)-4-amino-4-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]butanamide
PubChem CID175913468
Molecular FormulaC12H13BrN4O2
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name(4S)-4-amino-4-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]butanamide
SMILESNC(=O)CC[C@H](N)c1nnc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C12H13BrN4O2/c13-8-3-1-7(2-4-8)11-16-17-12(19-11)9(14)5-6-10(15)18/h1-4,9H,5-6,14H2,(H2,15,18)/t9-/m0/s1
InChIKeyDLUPASWEWNTUMF-VIFPVBQESA-N
XLogP1.76
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 82363345
2-(4-bromophenyl)-5-pentan-3-yl-1,3,4-oxadiazole
CID 71062822
3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropanoic acid
CID 82135343
3-[[(4S)-4-amino-4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]butanoyl]amino]-5-chloro-2-hydroxybenzenesulfonic acid
CID 89449869
2-amino-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 82363348
[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-cyanobenzoate
CID 16522650
[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methanethiol
CID 82160182
4-bromo-N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16821866
[2-(4-bromophenyl)-2-oxoethyl] 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 1277161
[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 2,5-dimethylfuran-3-carboxylate
CID 16531522
[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl naphthalene-1-carboxylate
CID 7377254
3-(4-bromophenyl)-3-hydroxypropanamide
CID 11514276

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-4-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]butanamide?
The IUPAC name of (4S)-4-amino-4-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]butanamide (CID 175913468) is (4S)-4-amino-4-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]butanamide.
What is the SMILES notation for (4S)-4-amino-4-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]butanamide?
The canonical SMILES for (4S)-4-amino-4-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]butanamide is NC(=O)CC[C@H](N)c1nnc(-c2ccc(Br)cc2)o1.
What is the InChIKey of (4S)-4-amino-4-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]butanamide?
The InChIKey is DLUPASWEWNTUMF-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13BrN4O2/c13-8-3-1-7(2-4-8)11-16-17-12(19-11)9(14)5-6-10(15)18/h1-4,9H,5-6,14H2,(H2,15,18)/t9-/m0/s1.
What are the key properties of (4S)-4-amino-4-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]butanamide?
(4S)-4-amino-4-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]butanamide has a molecular weight of 325.17 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-4-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]butanamide is sourced from PubChem (CID 175913468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).