N-[2-(azepan-1-yl)-2-oxoethyl]-2,4-dimethyl-N-propan-2-yl-1,3-oxazole-5-carboxamide

C17H27N3O3 — CID 126800338

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-2,4-dimethyl-N-propan-2-yl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(CC(=O)N2CCCCCC2)C(C)C)o1
InChIInChI=1S/C17H27N3O3/c1-12(2)20(17(22)16-13(3)18-14(4)23-16)11-15(21)19-9-7-5-6-8-10-19/h12H,5-11H2,1-4H3
InChIKeyTZPHOYOVEAJYKI-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.54
Rot. Bonds4

About N-[2-(azepan-1-yl)-2-oxoethyl]-2,4-dimethyl-N-propan-2-yl-1,3-oxazole-5-carboxamide

N-[2-(azepan-1-yl)-2-oxoethyl]-2,4-dimethyl-N-propan-2-yl-1,3-oxazole-5-carboxamide (PubChem CID 126800338) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-2,4-dimethyl-N-propan-2-yl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-2,4-dimethyl-N-propan-2-yl-1,3-oxazole-5-carboxamide
PubChem CID126800338
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-2,4-dimethyl-N-propan-2-yl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(CC(=O)N2CCCCCC2)C(C)C)o1
InChIInChI=1S/C17H27N3O3/c1-12(2)20(17(22)16-13(3)18-14(4)23-16)11-15(21)19-9-7-5-6-8-10-19/h12H,5-11H2,1-4H3
InChIKeyTZPHOYOVEAJYKI-UHFFFAOYSA-N
XLogP2.54
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-2,4-dimethyl-N-propan-2-yl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-2,4-dimethyl-N-propan-2-yl-1,3-oxazole-5-carboxamide (CID 126800338) is N-[2-(azepan-1-yl)-2-oxoethyl]-2,4-dimethyl-N-propan-2-yl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-2,4-dimethyl-N-propan-2-yl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-2,4-dimethyl-N-propan-2-yl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)N(CC(=O)N2CCCCCC2)C(C)C)o1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-2,4-dimethyl-N-propan-2-yl-1,3-oxazole-5-carboxamide?
The InChIKey is TZPHOYOVEAJYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-12(2)20(17(22)16-13(3)18-14(4)23-16)11-15(21)19-9-7-5-6-8-10-19/h12H,5-11H2,1-4H3.
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-2,4-dimethyl-N-propan-2-yl-1,3-oxazole-5-carboxamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-2,4-dimethyl-N-propan-2-yl-1,3-oxazole-5-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-oxoethyl]-2,4-dimethyl-N-propan-2-yl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 126800338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).