[2-(1-adamantylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate

C19H26N2O4 — CID 4790435

IUPAC[2-(1-adamantylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(C)c1C(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H26N2O4/c1-3-15-17(11(2)25-21-15)18(23)24-10-16(22)20-19-7-12-4-13(8-19)6-14(5-12)9-19/h12-14H,3-10H2,1-2H3,(H,20,22)
InChIKeyZFDNIQRCQHVLAZ-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.79
Rot. Bonds5

About [2-(1-adamantylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate

[2-(1-adamantylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 4790435) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is [2-(1-adamantylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(1-adamantylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID4790435
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name[2-(1-adamantylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(C)c1C(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H26N2O4/c1-3-15-17(11(2)25-21-15)18(23)24-10-16(22)20-19-7-12-4-13(8-19)6-14(5-12)9-19/h12-14H,3-10H2,1-2H3,(H,20,22)
InChIKeyZFDNIQRCQHVLAZ-UHFFFAOYSA-N
XLogP2.79
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 3946039
[2-(1-Adamantylcarbamoylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2998627
[2-(1-Adamantylmethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 4829016
[2-(Ethoxycarbonylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7531350
[1-(Carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 42918553
[2-[1-(1-Adamantyl)ethylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 3385107
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 4034503
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 2-(adamantane-1-carbonylamino)acetate
CID 4544323
[2-(1-Adamantylamino)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate
CID 4879791
[2-(1-Adamantylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 5220067
[2-(1-Adamantylamino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7291204
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7531459

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (CID 4790435) is [2-(1-adamantylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(1-adamantylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(1-adamantylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is CCc1noc(C)c1C(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(1-adamantylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is ZFDNIQRCQHVLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-3-15-17(11(2)25-21-15)18(23)24-10-16(22)20-19-7-12-4-13(8-19)6-14(5-12)9-19/h12-14H,3-10H2,1-2H3,(H,20,22).
What are the key properties of [2-(1-adamantylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
[2-(1-adamantylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 346.43 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 4790435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).