(2,4-dimethyl-1,3-oxazol-5-yl)-(4-propan-2-ylazepan-1-yl)methanone

C15H24N2O2 — CID 71925457

IUPAC(2,4-dimethyl-1,3-oxazol-5-yl)-(4-propan-2-ylazepan-1-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CCCC(C(C)C)CC2)o1
InChIInChI=1S/C15H24N2O2/c1-10(2)13-6-5-8-17(9-7-13)15(18)14-11(3)16-12(4)19-14/h10,13H,5-9H2,1-4H3
InChIKeyYPTURFVNSHNDLQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.19
Rot. Bonds2

About (2,4-dimethyl-1,3-oxazol-5-yl)-(4-propan-2-ylazepan-1-yl)methanone

(2,4-dimethyl-1,3-oxazol-5-yl)-(4-propan-2-ylazepan-1-yl)methanone (PubChem CID 71925457) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-oxazol-5-yl)-(4-propan-2-ylazepan-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-oxazol-5-yl)-(4-propan-2-ylazepan-1-yl)methanone
PubChem CID71925457
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2,4-dimethyl-1,3-oxazol-5-yl)-(4-propan-2-ylazepan-1-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CCCC(C(C)C)CC2)o1
InChIInChI=1S/C15H24N2O2/c1-10(2)13-6-5-8-17(9-7-13)15(18)14-11(3)16-12(4)19-14/h10,13H,5-9H2,1-4H3
InChIKeyYPTURFVNSHNDLQ-UHFFFAOYSA-N
XLogP3.19
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-(4-propan-2-ylazepan-1-yl)methanone?
The IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-(4-propan-2-ylazepan-1-yl)methanone (CID 71925457) is (2,4-dimethyl-1,3-oxazol-5-yl)-(4-propan-2-ylazepan-1-yl)methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-oxazol-5-yl)-(4-propan-2-ylazepan-1-yl)methanone?
The canonical SMILES for (2,4-dimethyl-1,3-oxazol-5-yl)-(4-propan-2-ylazepan-1-yl)methanone is Cc1nc(C)c(C(=O)N2CCCC(C(C)C)CC2)o1.
What is the InChIKey of (2,4-dimethyl-1,3-oxazol-5-yl)-(4-propan-2-ylazepan-1-yl)methanone?
The InChIKey is YPTURFVNSHNDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)13-6-5-8-17(9-7-13)15(18)14-11(3)16-12(4)19-14/h10,13H,5-9H2,1-4H3.
What are the key properties of (2,4-dimethyl-1,3-oxazol-5-yl)-(4-propan-2-ylazepan-1-yl)methanone?
(2,4-dimethyl-1,3-oxazol-5-yl)-(4-propan-2-ylazepan-1-yl)methanone has a molecular weight of 264.37 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-oxazol-5-yl)-(4-propan-2-ylazepan-1-yl)methanone is sourced from PubChem (CID 71925457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).