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

C17H27N3O3 — CID 30478640

IUPAC3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NCCCN1CCCCCC1=O
InChIInChI=1S/C17H27N3O3/c1-12(2)16-15(13(3)19-23-16)17(22)18-9-7-11-20-10-6-4-5-8-14(20)21/h12H,4-11H2,1-3H3,(H,18,22)
InChIKeySKXFOEYZKDIVDQ-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.63
Rot. Bonds6

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

3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 30478640) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID30478640
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NCCCN1CCCCCC1=O
InChIInChI=1S/C17H27N3O3/c1-12(2)16-15(13(3)19-23-16)17(22)18-9-7-11-20-10-6-4-5-8-14(20)21/h12H,4-11H2,1-3H3,(H,18,22)
InChIKeySKXFOEYZKDIVDQ-UHFFFAOYSA-N
XLogP2.63
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 30478640) is 3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(C(C)C)c1C(=O)NCCCN1CCCCCC1=O.
What is the InChIKey of 3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is SKXFOEYZKDIVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-12(2)16-15(13(3)19-23-16)17(22)18-9-7-11-20-10-6-4-5-8-14(20)21/h12H,4-11H2,1-3H3,(H,18,22).
What are the key properties of 3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 30478640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).