N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

C19H24N4O3 — CID 94159666

IUPACN-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCc1nccn1C[C@H](C)CNC(=O)CCCn1c(=O)oc2ccccc21
InChIInChI=1S/C19H24N4O3/c1-14(13-22-11-9-20-15(22)2)12-21-18(24)8-5-10-23-16-6-3-4-7-17(16)26-19(23)25/h3-4,6-7,9,11,14H,5,8,10,12-13H2,1-2H3,(H,21,24)/t14-/m1/s1
InChIKeySFMAUESEMXDBJE-CQSZACIVSA-N
MW356.43 g/mol
LogP2.33
Rot. Bonds8

About N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (PubChem CID 94159666) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.

Molecular Properties

Compound NameN-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
PubChem CID94159666
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCc1nccn1C[C@H](C)CNC(=O)CCCn1c(=O)oc2ccccc21
InChIInChI=1S/C19H24N4O3/c1-14(13-22-11-9-20-15(22)2)12-21-18(24)8-5-10-23-16-6-3-4-7-17(16)26-19(23)25/h3-4,6-7,9,11,14H,5,8,10,12-13H2,1-2H3,(H,21,24)/t14-/m1/s1
InChIKeySFMAUESEMXDBJE-CQSZACIVSA-N
XLogP2.33
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide with MolForge

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Related Compounds

4-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride
CID 119857880
propan-2-yl 3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]propanoate
CID 18204942
N-[2-(methylamino)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 120828743
N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3,3-diphenylpropanamide
CID 60559095
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 9389492
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 7974357
4-(2-oxo-1,3-benzoxazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 9021135
3-(4-oxohexyl)-1,3-benzoxazol-2-one
CID 106801664
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyrazol-1-ylphenyl)butanamide
CID 31907341
N-(2-methylpropyl)-2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide
CID 18089950
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 30594655
methyl 6-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]hexanoate
CID 9221034

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The IUPAC name of N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (CID 94159666) is N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.
What is the SMILES notation for N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The canonical SMILES for N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is Cc1nccn1C[C@H](C)CNC(=O)CCCn1c(=O)oc2ccccc21.
What is the InChIKey of N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The InChIKey is SFMAUESEMXDBJE-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-14(13-22-11-9-20-15(22)2)12-21-18(24)8-5-10-23-16-6-3-4-7-17(16)26-19(23)25/h3-4,6-7,9,11,14H,5,8,10,12-13H2,1-2H3,(H,21,24)/t14-/m1/s1.
What are the key properties of N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide has a molecular weight of 356.43 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is sourced from PubChem (CID 94159666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).