N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylazepane-1-carboxamide

C14H23N3O2 — CID 71935964

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylazepane-1-carboxamide
SMILESCc1noc(C)c1CNC(=O)N1CCCC(C)CC1
InChIInChI=1S/C14H23N3O2/c1-10-5-4-7-17(8-6-10)14(18)15-9-13-11(2)16-19-12(13)3/h10H,4-9H2,1-3H3,(H,15,18)
InChIKeySHUPKTGQHOVRMM-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.62
Rot. Bonds2

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylazepane-1-carboxamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylazepane-1-carboxamide (PubChem CID 71935964) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylazepane-1-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylazepane-1-carboxamide
PubChem CID71935964
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylazepane-1-carboxamide
SMILESCc1noc(C)c1CNC(=O)N1CCCC(C)CC1
InChIInChI=1S/C14H23N3O2/c1-10-5-4-7-17(8-6-10)14(18)15-9-13-11(2)16-19-12(13)3/h10H,4-9H2,1-3H3,(H,15,18)
InChIKeySHUPKTGQHOVRMM-UHFFFAOYSA-N
XLogP2.62
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylazepane-1-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylazepane-1-carboxamide (CID 71935964) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylazepane-1-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylazepane-1-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylazepane-1-carboxamide is Cc1noc(C)c1CNC(=O)N1CCCC(C)CC1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylazepane-1-carboxamide?
The InChIKey is SHUPKTGQHOVRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-5-4-7-17(8-6-10)14(18)15-9-13-11(2)16-19-12(13)3/h10H,4-9H2,1-3H3,(H,15,18).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylazepane-1-carboxamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylazepane-1-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylazepane-1-carboxamide is sourced from PubChem (CID 71935964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).