N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide

C18H31N3O2 — CID 70765436

IUPACN-[1-(azepan-1-yl)-2-methylpropan-2-yl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NC(C)(C)CN2CCCCCC2)on1
InChIInChI=1S/C18H31N3O2/c1-14(2)11-15-12-16(23-20-15)17(22)19-18(3,4)13-21-9-7-5-6-8-10-21/h12,14H,5-11,13H2,1-4H3,(H,19,22)
InChIKeyGRSUZGKMBNIKPV-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.26
Rot. Bonds6

About N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide

N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide (PubChem CID 70765436) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(azepan-1-yl)-2-methylpropan-2-yl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
PubChem CID70765436
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC NameN-[1-(azepan-1-yl)-2-methylpropan-2-yl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NC(C)(C)CN2CCCCCC2)on1
InChIInChI=1S/C18H31N3O2/c1-14(2)11-15-12-16(23-20-15)17(22)19-18(3,4)13-21-9-7-5-6-8-10-21/h12,14H,5-11,13H2,1-4H3,(H,19,22)
InChIKeyGRSUZGKMBNIKPV-UHFFFAOYSA-N
XLogP3.26
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide (CID 70765436) is N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide is CC(C)Cc1cc(C(=O)NC(C)(C)CN2CCCCCC2)on1.
What is the InChIKey of N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The InChIKey is GRSUZGKMBNIKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-14(2)11-15-12-16(23-20-15)17(22)19-18(3,4)13-21-9-7-5-6-8-10-21/h12,14H,5-11,13H2,1-4H3,(H,19,22).
What are the key properties of N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide has a molecular weight of 321.47 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 70765436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).