[2-(5-methylhexan-2-ylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate

C14H23N3O4 — CID 16570747

IUPAC[2-(5-methylhexan-2-ylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(N)c1C(=O)OCC(=O)NC(C)CCC(C)C
InChIInChI=1S/C14H23N3O4/c1-8(2)5-6-9(3)16-11(18)7-20-14(19)12-10(4)17-21-13(12)15/h8-9H,5-7,15H2,1-4H3,(H,16,18)
InChIKeyZXDCYJWXNAZULY-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.66
Rot. Bonds7

About [2-(5-methylhexan-2-ylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate

[2-(5-methylhexan-2-ylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate (PubChem CID 16570747) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is [2-(5-methylhexan-2-ylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(5-methylhexan-2-ylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
PubChem CID16570747
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name[2-(5-methylhexan-2-ylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(N)c1C(=O)OCC(=O)NC(C)CCC(C)C
InChIInChI=1S/C14H23N3O4/c1-8(2)5-6-9(3)16-11(18)7-20-14(19)12-10(4)17-21-13(12)15/h8-9H,5-7,15H2,1-4H3,(H,16,18)
InChIKeyZXDCYJWXNAZULY-UHFFFAOYSA-N
XLogP1.66
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[[(2S)-octan-2-yl]amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 26010728
[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 40953167
[2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 8847596
[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 25441478
N-(5-methylhexan-2-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]acetamide
CID 71932292
[2-(2-iodoanilino)-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 46639271
[2-oxo-2-(2-phenylbutylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 16570742
[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 46639760
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 46639171
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 30824186
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 46639316
[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 71888017

Frequently Asked Questions

What is the IUPAC name of [2-(5-methylhexan-2-ylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(5-methylhexan-2-ylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate (CID 16570747) is [2-(5-methylhexan-2-ylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(5-methylhexan-2-ylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(5-methylhexan-2-ylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate is Cc1noc(N)c1C(=O)OCC(=O)NC(C)CCC(C)C.
What is the InChIKey of [2-(5-methylhexan-2-ylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is ZXDCYJWXNAZULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-8(2)5-6-9(3)16-11(18)7-20-14(19)12-10(4)17-21-13(12)15/h8-9H,5-7,15H2,1-4H3,(H,16,18).
What are the key properties of [2-(5-methylhexan-2-ylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
[2-(5-methylhexan-2-ylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 297.36 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methylhexan-2-ylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 16570747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).