(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(adamantane-1-carbonylamino)acetate

C19H26N2O4 — CID 4544323

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(adamantane-1-carbonylamino)acetate
SMILESCc1noc(C)c1COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H26N2O4/c1-11-16(12(2)25-21-11)10-24-17(22)9-20-18(23)19-6-13-3-14(7-19)5-15(4-13)8-19/h13-15H,3-10H2,1-2H3,(H,20,23)
InChIKeyFYQOPHRVAADTSZ-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.67
Rot. Bonds5

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(adamantane-1-carbonylamino)acetate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(adamantane-1-carbonylamino)acetate (PubChem CID 4544323) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(adamantane-1-carbonylamino)acetate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(adamantane-1-carbonylamino)acetate
PubChem CID4544323
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(adamantane-1-carbonylamino)acetate
SMILESCc1noc(C)c1COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H26N2O4/c1-11-16(12(2)25-21-11)10-24-17(22)9-20-18(23)19-6-13-3-14(7-19)5-15(4-13)8-19/h13-15H,3-10H2,1-2H3,(H,20,23)
InChIKeyFYQOPHRVAADTSZ-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(adamantane-1-carbonylamino)acetate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(adamantane-1-carbonylamino)acetate (CID 4544323) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(adamantane-1-carbonylamino)acetate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(adamantane-1-carbonylamino)acetate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(adamantane-1-carbonylamino)acetate is Cc1noc(C)c1COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(adamantane-1-carbonylamino)acetate?
The InChIKey is FYQOPHRVAADTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-11-16(12(2)25-21-11)10-24-17(22)9-20-18(23)19-6-13-3-14(7-19)5-15(4-13)8-19/h13-15H,3-10H2,1-2H3,(H,20,23).
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(adamantane-1-carbonylamino)acetate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(adamantane-1-carbonylamino)acetate has a molecular weight of 346.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(adamantane-1-carbonylamino)acetate is sourced from PubChem (CID 4544323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).