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

C12H19N3O2 — CID 106370608

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide
SMILESCc1cnc(CNC(=O)N2CCCCCC2)o1
InChIInChI=1S/C12H19N3O2/c1-10-8-13-11(17-10)9-14-12(16)15-6-4-2-3-5-7-15/h8H,2-7,9H2,1H3,(H,14,16)
InChIKeyKKDCEJQLIUMGSF-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.07
Rot. Bonds2

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

N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide (PubChem CID 106370608) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide
PubChem CID106370608
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide
SMILESCc1cnc(CNC(=O)N2CCCCCC2)o1
InChIInChI=1S/C12H19N3O2/c1-10-8-13-11(17-10)9-14-12(16)15-6-4-2-3-5-7-15/h8H,2-7,9H2,1H3,(H,14,16)
InChIKeyKKDCEJQLIUMGSF-UHFFFAOYSA-N
XLogP2.07
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide
CID 106370575
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 106371910
4-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]morpholine-2-carboxylic acid
CID 106374354
(3S)-1-benzoyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide
CID 124739989
1-cyclohexyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 110660494
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 83622965
1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 103738715
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]azepane-1-carboxamide
CID 71867664
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-sulfanylpropanamide
CID 106377758
azepan-1-yl-[4-methoxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]methanone
CID 84588348
2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid
CID 106374600
3-(methylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371442

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide (CID 106370608) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide is Cc1cnc(CNC(=O)N2CCCCCC2)o1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide?
The InChIKey is KKDCEJQLIUMGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-10-8-13-11(17-10)9-14-12(16)15-6-4-2-3-5-7-15/h8H,2-7,9H2,1H3,(H,14,16).
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide is sourced from PubChem (CID 106370608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).