(1S)-3-methyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine

C15H18N4O — CID 118864403

IUPAC(1S)-3-methyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine
SMILESCC(C)C[C@H](N)c1nc2ccc(-c3cnco3)cc2[nH]1
InChIInChI=1S/C15H18N4O/c1-9(2)5-11(16)15-18-12-4-3-10(6-13(12)19-15)14-7-17-8-20-14/h3-4,6-9,11H,5,16H2,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyZFSBKPXBQGCRAC-NSHDSACASA-N
MW270.34 g/mol
LogP3.26
Rot. Bonds4

About (1S)-3-methyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine

(1S)-3-methyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine (PubChem CID 118864403) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is (1S)-3-methyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine.

Molecular Properties

Compound Name(1S)-3-methyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine
PubChem CID118864403
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name(1S)-3-methyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine
SMILESCC(C)C[C@H](N)c1nc2ccc(-c3cnco3)cc2[nH]1
InChIInChI=1S/C15H18N4O/c1-9(2)5-11(16)15-18-12-4-3-10(6-13(12)19-15)14-7-17-8-20-14/h3-4,6-9,11H,5,16H2,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyZFSBKPXBQGCRAC-NSHDSACASA-N
XLogP3.26
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]-N-[4-[5-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]pyrrolidin-2-yl]-1H-benzimidazol-5-yl]oxazol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 46893268
6-(Oxazol-5-yl)-3-(4-piperidin-1-ylmethyl-phenyl)-9H-dipyrido[2,3-b;4',3'-d]pyrrole
CID 58266579
(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]-N-[3-[5-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]pyrrolidin-2-yl]-1H-benzimidazol-5-yl]oxazol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 58384795
(1S)-1-[4-ethyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
CID 162625321
2-(4-(Oxazol-5-yl)phenyl)-1H-benzo[d]imidazole-4-carboxamide
CID 44541922
N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 24791737
2-(2-Methyl-1H-benzoimidazol-5-yl)-benzooxazole
CID 831984
6-[5-(4-Chlorophenyl)-oxazol-2-yl]-2-(2,6-dichlorophenyl)-1H-benzimidazole
CID 25235860
(2R)-2-(dimethylamino)-1-[(2S)-2-[5-[2-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]pyrrolidin-2-yl]-1H-benzimidazol-5-yl]oxazol-5-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-phenyl-ethanone
CID 59237076
2-(1-amino-3-methylbutyl)-N-methyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine
CID 121255746
3-Methyl-1-[6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine
CID 121255889
1-[4-Ethyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
CID 121256032

Frequently Asked Questions

What is the IUPAC name of (1S)-3-methyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine?
The IUPAC name of (1S)-3-methyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine (CID 118864403) is (1S)-3-methyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine.
What is the SMILES notation for (1S)-3-methyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine?
The canonical SMILES for (1S)-3-methyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine is CC(C)C[C@H](N)c1nc2ccc(-c3cnco3)cc2[nH]1.
What is the InChIKey of (1S)-3-methyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine?
The InChIKey is ZFSBKPXBQGCRAC-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N4O/c1-9(2)5-11(16)15-18-12-4-3-10(6-13(12)19-15)14-7-17-8-20-14/h3-4,6-9,11H,5,16H2,1-2H3,(H,18,19)/t11-/m0/s1.
What are the key properties of (1S)-3-methyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine?
(1S)-3-methyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine has a molecular weight of 270.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-methyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine is sourced from PubChem (CID 118864403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).