3-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide

C16H25N3O3 — CID 39513620

IUPAC3-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NCCN1CCCCCC1=O
InChIInChI=1S/C16H25N3O3/c1-11(2)15-14(12(3)18-22-15)16(21)17-8-10-19-9-6-4-5-7-13(19)20/h11H,4-10H2,1-3H3,(H,17,21)
InChIKeyMJNLLCHINRTFKX-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.24
Rot. Bonds5

About 3-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide

3-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 39513620) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID39513620
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name3-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NCCN1CCCCCC1=O
InChIInChI=1S/C16H25N3O3/c1-11(2)15-14(12(3)18-22-15)16(21)17-8-10-19-9-6-4-5-7-13(19)20/h11H,4-10H2,1-3H3,(H,17,21)
InChIKeyMJNLLCHINRTFKX-UHFFFAOYSA-N
XLogP2.24
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 39513620) is 3-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(C(C)C)c1C(=O)NCCN1CCCCCC1=O.
What is the InChIKey of 3-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is MJNLLCHINRTFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11(2)15-14(12(3)18-22-15)16(21)17-8-10-19-9-6-4-5-7-13(19)20/h11H,4-10H2,1-3H3,(H,17,21).
What are the key properties of 3-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
3-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 39513620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).