[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate

C15H23N3O4 — CID 92513301

IUPAC[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(N)c1C(=O)O[C@@H](C)C(=O)NC1CCCCCC1
InChIInChI=1S/C15H23N3O4/c1-9-12(13(16)22-18-9)15(20)21-10(2)14(19)17-11-7-5-3-4-6-8-11/h10-11H,3-8,16H2,1-2H3,(H,17,19)/t10-/m0/s1
InChIKeyKYBZNDIDLSVOMG-JTQLQIEISA-N
MW309.37 g/mol
LogP1.95
Rot. Bonds4

About [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate

[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate (PubChem CID 92513301) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
PubChem CID92513301
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(N)c1C(=O)O[C@@H](C)C(=O)NC1CCCCCC1
InChIInChI=1S/C15H23N3O4/c1-9-12(13(16)22-18-9)15(20)21-10(2)14(19)17-11-7-5-3-4-6-8-11/h10-11H,3-8,16H2,1-2H3,(H,17,19)/t10-/m0/s1
InChIKeyKYBZNDIDLSVOMG-JTQLQIEISA-N
XLogP1.95
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate with MolForge

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Related Compounds

[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 3946039
[2-(Cyclopropylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2520589
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2997793
[1-Oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 16570740
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 40066185
[2-[1-Cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 17475426
[2-[[(1S)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 26004522
[2-[[(1R)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 26004524
[(2R)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 26201744
[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 26201745
[1-(Cyclopentylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 4692442
[1-(Cyclopropylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 17480637

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate (CID 92513301) is [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate is Cc1noc(N)c1C(=O)O[C@@H](C)C(=O)NC1CCCCCC1.
What is the InChIKey of [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is KYBZNDIDLSVOMG-JTQLQIEISA-N. The full InChI is InChI=1S/C15H23N3O4/c1-9-12(13(16)22-18-9)15(20)21-10(2)14(19)17-11-7-5-3-4-6-8-11/h10-11H,3-8,16H2,1-2H3,(H,17,19)/t10-/m0/s1.
What are the key properties of [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 92513301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).