(3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidoadamantane-1-carboxylate

C18H24N2O4 — CID 18099777

IUPAC(3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidoadamantane-1-carboxylate
SMILESCC(=O)NC12CC3CC(C1)CC(C(=O)OCc1cc(C)no1)(C3)C2
InChIInChI=1S/C18H24N2O4/c1-11-3-15(24-20-11)9-23-16(22)17-5-13-4-14(6-17)8-18(7-13,10-17)19-12(2)21/h3,13-14H,4-10H2,1-2H3,(H,19,21)
InChIKeyPWCICJIPHZKSOR-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.50
Rot. Bonds4

About (3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidoadamantane-1-carboxylate

(3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidoadamantane-1-carboxylate (PubChem CID 18099777) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidoadamantane-1-carboxylate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidoadamantane-1-carboxylate
PubChem CID18099777
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidoadamantane-1-carboxylate
SMILESCC(=O)NC12CC3CC(C1)CC(C(=O)OCc1cc(C)no1)(C3)C2
InChIInChI=1S/C18H24N2O4/c1-11-3-15(24-20-11)9-23-16(22)17-5-13-4-14(6-17)8-18(7-13,10-17)19-12(2)21/h3,13-14H,4-10H2,1-2H3,(H,19,21)
InChIKeyPWCICJIPHZKSOR-UHFFFAOYSA-N
XLogP2.50
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidoadamantane-1-carboxylate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidoadamantane-1-carboxylate (CID 18099777) is (3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidoadamantane-1-carboxylate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidoadamantane-1-carboxylate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidoadamantane-1-carboxylate is CC(=O)NC12CC3CC(C1)CC(C(=O)OCc1cc(C)no1)(C3)C2.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidoadamantane-1-carboxylate?
The InChIKey is PWCICJIPHZKSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-11-3-15(24-20-11)9-23-16(22)17-5-13-4-14(6-17)8-18(7-13,10-17)19-12(2)21/h3,13-14H,4-10H2,1-2H3,(H,19,21).
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidoadamantane-1-carboxylate?
(3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidoadamantane-1-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidoadamantane-1-carboxylate is sourced from PubChem (CID 18099777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).