methyl 2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cycloheptane-1-carboxylate

C15H22N2O4 — CID 75378616

IUPACmethyl 2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cycloheptane-1-carboxylate
SMILESCCc1ocnc1C(=O)NC1CCCCCC1C(=O)OC
InChIInChI=1S/C15H22N2O4/c1-3-12-13(16-9-21-12)14(18)17-11-8-6-4-5-7-10(11)15(19)20-2/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyGHHGYTQSHQAVBK-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.09
Rot. Bonds4

About methyl 2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cycloheptane-1-carboxylate

methyl 2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cycloheptane-1-carboxylate (PubChem CID 75378616) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cycloheptane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cycloheptane-1-carboxylate
PubChem CID75378616
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Namemethyl 2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cycloheptane-1-carboxylate
SMILESCCc1ocnc1C(=O)NC1CCCCCC1C(=O)OC
InChIInChI=1S/C15H22N2O4/c1-3-12-13(16-9-21-12)14(18)17-11-8-6-4-5-7-10(11)15(19)20-2/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyGHHGYTQSHQAVBK-UHFFFAOYSA-N
XLogP2.09
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cycloheptane-1-carboxylate?
The IUPAC name of methyl 2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cycloheptane-1-carboxylate (CID 75378616) is methyl 2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cycloheptane-1-carboxylate.
What is the SMILES notation for methyl 2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cycloheptane-1-carboxylate?
The canonical SMILES for methyl 2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cycloheptane-1-carboxylate is CCc1ocnc1C(=O)NC1CCCCCC1C(=O)OC.
What is the InChIKey of methyl 2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cycloheptane-1-carboxylate?
The InChIKey is GHHGYTQSHQAVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-12-13(16-9-21-12)14(18)17-11-8-6-4-5-7-10(11)15(19)20-2/h9-11H,3-8H2,1-2H3,(H,17,18).
What are the key properties of methyl 2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cycloheptane-1-carboxylate?
methyl 2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cycloheptane-1-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cycloheptane-1-carboxylate is sourced from PubChem (CID 75378616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).