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

C14H23N3O4 — CID 18098858

IUPAC[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(N)c1C(=O)OC(C)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C14H23N3O4/c1-7(2)17(8(3)4)13(18)10(6)20-14(19)11-9(5)16-21-12(11)15/h7-8,10H,15H2,1-6H3
InChIKeyDQRKHPQBHLPJIL-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.76
Rot. Bonds5

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

[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate (PubChem CID 18098858) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
PubChem CID18098858
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(N)c1C(=O)OC(C)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C14H23N3O4/c1-7(2)17(8(3)4)13(18)10(6)20-14(19)11-9(5)16-21-12(11)15/h7-8,10H,15H2,1-6H3
InChIKeyDQRKHPQBHLPJIL-UHFFFAOYSA-N
XLogP1.76
TPSA98.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(tert-butylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 46639441
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 92513301
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 46574508
[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 27062703
[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 46620662
[(1S)-2-anilino-2-oxo-1-phenylethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 9452044
[2-(5-methylhexan-2-ylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 16570747
[(1R)-2,2-dichlorocyclopropyl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 26263682
[(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate
CID 8987952
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7549693
[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 18274132
[2-[[(2S)-octan-2-yl]amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 26010728

Frequently Asked Questions

What is the IUPAC name of [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate (CID 18098858) is [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate is Cc1noc(N)c1C(=O)OC(C)C(=O)N(C(C)C)C(C)C.
What is the InChIKey of [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is DQRKHPQBHLPJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-7(2)17(8(3)4)13(18)10(6)20-14(19)11-9(5)16-21-12(11)15/h7-8,10H,15H2,1-6H3.
What are the key properties of [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 297.36 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 18098858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).