N-[(5-ethyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide

C13H21N3O2 — CID 106370575

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide
SMILESCCc1cnc(CNC(=O)N2CCCCCC2)o1
InChIInChI=1S/C13H21N3O2/c1-2-11-9-14-12(18-11)10-15-13(17)16-7-5-3-4-6-8-16/h9H,2-8,10H2,1H3,(H,15,17)
InChIKeyHEFLCKHURJKMKF-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.32
Rot. Bonds3

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide (PubChem CID 106370575) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide
PubChem CID106370575
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide
SMILESCCc1cnc(CNC(=O)N2CCCCCC2)o1
InChIInChI=1S/C13H21N3O2/c1-2-11-9-14-12(18-11)10-15-13(17)16-7-5-3-4-6-8-16/h9H,2-8,10H2,1H3,(H,15,17)
InChIKeyHEFLCKHURJKMKF-UHFFFAOYSA-N
XLogP2.32
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide
CID 106370608
1-[(2-propyl-1,3-oxazol-5-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122016667
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]azepane-1-carboxamide
CID 71867664
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide
CID 106371216
(2R,4R)-1-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 106374163
3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 106374244
(2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371001
N-ethyl-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]acetamide
CID 106370872
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-1-morpholin-4-ylethanone
CID 114180248
cis-(1S,2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106370141
2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106370130
2-amino-2-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanamide
CID 106370796

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide (CID 106370575) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide is CCc1cnc(CNC(=O)N2CCCCCC2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide?
The InChIKey is HEFLCKHURJKMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-11-9-14-12(18-11)10-15-13(17)16-7-5-3-4-6-8-16/h9H,2-8,10H2,1H3,(H,15,17).
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide is sourced from PubChem (CID 106370575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).