N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-2-oxobenzimidazole-1-carboxamide

C19H23N5O4 — CID 24953416

IUPACN-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-2-oxobenzimidazole-1-carboxamide
SMILESCc1ncc(Cn2c(=O)n(C(=O)N[C@H](C(N)=O)C(C)(C)C)c3ccccc32)o1
InChIInChI=1S/C19H23N5O4/c1-11-21-9-12(28-11)10-23-13-7-5-6-8-14(13)24(18(23)27)17(26)22-15(16(20)25)19(2,3)4/h5-9,15H,10H2,1-4H3,(H2,20,25)(H,22,26)/t15-/m1/s1
InChIKeyFMUTVBBCYFKYBH-OAHLLOKOSA-N
MW385.42 g/mol
LogP1.61
Rot. Bonds4

About N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-2-oxobenzimidazole-1-carboxamide

N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-2-oxobenzimidazole-1-carboxamide (PubChem CID 24953416) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-2-oxobenzimidazole-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-2-oxobenzimidazole-1-carboxamide
PubChem CID24953416
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC NameN-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-2-oxobenzimidazole-1-carboxamide
SMILESCc1ncc(Cn2c(=O)n(C(=O)N[C@H](C(N)=O)C(C)(C)C)c3ccccc32)o1
InChIInChI=1S/C19H23N5O4/c1-11-21-9-12(28-11)10-23-13-7-5-6-8-14(13)24(18(23)27)17(26)22-15(16(20)25)19(2,3)4/h5-9,15H,10H2,1-4H3,(H2,20,25)(H,22,26)/t15-/m1/s1
InChIKeyFMUTVBBCYFKYBH-OAHLLOKOSA-N
XLogP1.61
TPSA125.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-butyl-2-oxobenzimidazole-1-carboxamide
CID 57435971
N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-2-oxo-3-(4,4,4-trifluorobutyl)benzimidazole-1-carboxamide
CID 57435972
N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-3-benzyl-2-oxobenzimidazole-1-carboxamide
CID 57463435
N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-[(2,2-dimethyloxan-4-yl)methyl]-2-oxoimidazo[4,5-b]pyridine-1-carboxamide
CID 71120754
N-(3,3-dimethyl-1-methylsulfonylbutan-2-yl)-3-(3-hydroxybutyl)-2-oxobenzimidazole-1-carboxamide;ethane
CID 143291433
N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-(cyclohexylmethyl)-6-fluoro-2-oxobenzimidazole-1-carboxamide
CID 24955548
[(2S)-3,3-dimethyl-2-[[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carbonyl]amino]butanimidoyl]-hydrazinylidene-methylazanium
CID 143641847
3-[(2-methyl-1,3-oxazol-5-yl)methyl]-1H-benzimidazole-2-thione
CID 19105051
N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-5-fluoro-4-methyl-3-(oxan-2-yl)-2-oxobenzimidazole-1-carboxamide
CID 90693255
N-[(2R)-3,3-dimethyl-1-(2H-tetrazol-5-yl)butan-2-yl]-3-(3-hydroxy-3-methylbutyl)-2-oxobenzimidazole-1-carboxamide
CID 143642110
3-(cyclohexylmethyl)-N-[(3S)-2,2-dimethyl-4-oxohexan-3-yl]-4-methyl-2-oxobenzimidazole-1-carboxamide
CID 143642103
N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide;hydrochloride
CID 11553970

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-2-oxobenzimidazole-1-carboxamide?
The IUPAC name of N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-2-oxobenzimidazole-1-carboxamide (CID 24953416) is N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-2-oxobenzimidazole-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-2-oxobenzimidazole-1-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-2-oxobenzimidazole-1-carboxamide is Cc1ncc(Cn2c(=O)n(C(=O)N[C@H](C(N)=O)C(C)(C)C)c3ccccc32)o1.
What is the InChIKey of N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-2-oxobenzimidazole-1-carboxamide?
The InChIKey is FMUTVBBCYFKYBH-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-11-21-9-12(28-11)10-23-13-7-5-6-8-14(13)24(18(23)27)17(26)22-15(16(20)25)19(2,3)4/h5-9,15H,10H2,1-4H3,(H2,20,25)(H,22,26)/t15-/m1/s1.
What are the key properties of N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-2-oxobenzimidazole-1-carboxamide?
N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-2-oxobenzimidazole-1-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-2-oxobenzimidazole-1-carboxamide is sourced from PubChem (CID 24953416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).