[4-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]piperidin-1-yl]-3-methyl-4-oxobutan-2-yl]carbamic acid

C19H28N4O5 — CID 118948589

IUPAC[4-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]piperidin-1-yl]-3-methyl-4-oxobutan-2-yl]carbamic acid
SMILESCC(NC(=O)O)C(C)C(=O)N1CCC(CNC(=O)c2cc(C3CC3)on2)CC1
InChIInChI=1S/C19H28N4O5/c1-11(12(2)21-19(26)27)18(25)23-7-5-13(6-8-23)10-20-17(24)15-9-16(28-22-15)14-3-4-14/h9,11-14,21H,3-8,10H2,1-2H3,(H,20,24)(H,26,27)
InChIKeyWPLXCJPGIKWUJA-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.81
Rot. Bonds7

About [4-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]piperidin-1-yl]-3-methyl-4-oxobutan-2-yl]carbamic acid

[4-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]piperidin-1-yl]-3-methyl-4-oxobutan-2-yl]carbamic acid (PubChem CID 118948589) has the molecular formula C19H28N4O5 and a molecular weight of 392.46 g/mol. Its IUPAC name is [4-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]piperidin-1-yl]-3-methyl-4-oxobutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[4-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]piperidin-1-yl]-3-methyl-4-oxobutan-2-yl]carbamic acid
PubChem CID118948589
Molecular FormulaC19H28N4O5
Molecular Weight392.46 g/mol
Exact Mass392.21
IUPAC Name[4-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]piperidin-1-yl]-3-methyl-4-oxobutan-2-yl]carbamic acid
SMILESCC(NC(=O)O)C(C)C(=O)N1CCC(CNC(=O)c2cc(C3CC3)on2)CC1
InChIInChI=1S/C19H28N4O5/c1-11(12(2)21-19(26)27)18(25)23-7-5-13(6-8-23)10-20-17(24)15-9-16(28-22-15)14-3-4-14/h9,11-14,21H,3-8,10H2,1-2H3,(H,20,24)(H,26,27)
InChIKeyWPLXCJPGIKWUJA-UHFFFAOYSA-N
XLogP1.81
TPSA124.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [4-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]piperidin-1-yl]-3-methyl-4-oxobutan-2-yl]carbamic acid with MolForge

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Launch Full Analysis

Related Compounds

5-cyclopropyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 119041616
N-butan-2-yl-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 6621450
N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 71796785
5-cyclopropyl-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 100682683
N-[[1-[(2S)-2-aminopropanoyl]-4-methylpiperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130188190
5-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61023267
5-cyclopropyl-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1,2-oxazole-3-carboxamide
CID 95129634
N-[(1-phenylpiperidin-4-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70788463
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 43469491
5-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide
CID 79252020
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780615
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 61243121

Frequently Asked Questions

What is the IUPAC name of [4-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]piperidin-1-yl]-3-methyl-4-oxobutan-2-yl]carbamic acid?
The IUPAC name of [4-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]piperidin-1-yl]-3-methyl-4-oxobutan-2-yl]carbamic acid (CID 118948589) is [4-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]piperidin-1-yl]-3-methyl-4-oxobutan-2-yl]carbamic acid.
What is the SMILES notation for [4-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]piperidin-1-yl]-3-methyl-4-oxobutan-2-yl]carbamic acid?
The canonical SMILES for [4-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]piperidin-1-yl]-3-methyl-4-oxobutan-2-yl]carbamic acid is CC(NC(=O)O)C(C)C(=O)N1CCC(CNC(=O)c2cc(C3CC3)on2)CC1.
What is the InChIKey of [4-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]piperidin-1-yl]-3-methyl-4-oxobutan-2-yl]carbamic acid?
The InChIKey is WPLXCJPGIKWUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O5/c1-11(12(2)21-19(26)27)18(25)23-7-5-13(6-8-23)10-20-17(24)15-9-16(28-22-15)14-3-4-14/h9,11-14,21H,3-8,10H2,1-2H3,(H,20,24)(H,26,27).
What are the key properties of [4-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]piperidin-1-yl]-3-methyl-4-oxobutan-2-yl]carbamic acid?
[4-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]piperidin-1-yl]-3-methyl-4-oxobutan-2-yl]carbamic acid has a molecular weight of 392.46 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]piperidin-1-yl]-3-methyl-4-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 118948589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).