(3-propan-2-yloxycarbonyl-1-adamantyl) 5-amino-1,2-oxazole-3-carboxylate

C18H24N2O5 — CID 154699189

IUPAC(3-propan-2-yloxycarbonyl-1-adamantyl) 5-amino-1,2-oxazole-3-carboxylate
SMILESCC(C)OC(=O)C12CC3CC(CC(OC(=O)c4cc(N)on4)(C3)C1)C2
InChIInChI=1S/C18H24N2O5/c1-10(2)23-16(22)17-5-11-3-12(6-17)8-18(7-11,9-17)24-15(21)13-4-14(19)25-20-13/h4,10-12H,3,5-9,19H2,1-2H3
InChIKeyYUJOGGZJMZIHSN-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.70
Rot. Bonds4

About (3-propan-2-yloxycarbonyl-1-adamantyl) 5-amino-1,2-oxazole-3-carboxylate

(3-propan-2-yloxycarbonyl-1-adamantyl) 5-amino-1,2-oxazole-3-carboxylate (PubChem CID 154699189) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is (3-propan-2-yloxycarbonyl-1-adamantyl) 5-amino-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Name(3-propan-2-yloxycarbonyl-1-adamantyl) 5-amino-1,2-oxazole-3-carboxylate
PubChem CID154699189
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name(3-propan-2-yloxycarbonyl-1-adamantyl) 5-amino-1,2-oxazole-3-carboxylate
SMILESCC(C)OC(=O)C12CC3CC(CC(OC(=O)c4cc(N)on4)(C3)C1)C2
InChIInChI=1S/C18H24N2O5/c1-10(2)23-16(22)17-5-11-3-12(6-17)8-18(7-11,9-17)24-15(21)13-4-14(19)25-20-13/h4,10-12H,3,5-9,19H2,1-2H3
InChIKeyYUJOGGZJMZIHSN-UHFFFAOYSA-N
XLogP2.70
TPSA104.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-O-[3-(1-ethoxyethoxycarbonyl)-1-adamantyl] 1-O-(1-ethoxyethyl) 2,3-dimethylbutanedioate
CID 22090270
1-ethoxyethyl 3-acetyloxyadamantane-1-carboxylate
CID 22895666
3-(3-acetyloxyadamantane-1-carbonyl)oxy-2,2-difluoro-4-methylpentanoate
CID 164747312
[3,3,3-trifluoro-2-(trifluoromethyl)propyl] 3-[2-(2-methylprop-2-enoyloxy)acetyl]oxyadamantane-1-carboxylate
CID 137432341
2,2-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxyethanesulfonic acid
CID 170531215
methoxymethyl 3-acetyloxyadamantane-1-carboxylate
CID 118344723
1-(1-adamantyloxy)ethyl 3-(2,2-difluorobutanoyloxy)adamantane-1-carboxylate
CID 89089903
3-(2,3,5-tribromobenzoyl)oxyadamantane-1-carboxylate
CID 154611966
3-[3-(2,3,5-tribromobenzoyl)oxyadamantane-1-carbonyl]oxypropanoic acid
CID 159417260
(4-phenylpiperidin-4-yl) 3-(2-iodopropanoyloxy)adamantane-1-carboxylate
CID 162508248
2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxyethanesulfonate
CID 153471769
1-(1-adamantylmethoxy)ethyl 3-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate
CID 89089934

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yloxycarbonyl-1-adamantyl) 5-amino-1,2-oxazole-3-carboxylate?
The IUPAC name of (3-propan-2-yloxycarbonyl-1-adamantyl) 5-amino-1,2-oxazole-3-carboxylate (CID 154699189) is (3-propan-2-yloxycarbonyl-1-adamantyl) 5-amino-1,2-oxazole-3-carboxylate.
What is the SMILES notation for (3-propan-2-yloxycarbonyl-1-adamantyl) 5-amino-1,2-oxazole-3-carboxylate?
The canonical SMILES for (3-propan-2-yloxycarbonyl-1-adamantyl) 5-amino-1,2-oxazole-3-carboxylate is CC(C)OC(=O)C12CC3CC(CC(OC(=O)c4cc(N)on4)(C3)C1)C2.
What is the InChIKey of (3-propan-2-yloxycarbonyl-1-adamantyl) 5-amino-1,2-oxazole-3-carboxylate?
The InChIKey is YUJOGGZJMZIHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-10(2)23-16(22)17-5-11-3-12(6-17)8-18(7-11,9-17)24-15(21)13-4-14(19)25-20-13/h4,10-12H,3,5-9,19H2,1-2H3.
What are the key properties of (3-propan-2-yloxycarbonyl-1-adamantyl) 5-amino-1,2-oxazole-3-carboxylate?
(3-propan-2-yloxycarbonyl-1-adamantyl) 5-amino-1,2-oxazole-3-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yloxycarbonyl-1-adamantyl) 5-amino-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 154699189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).