3-methoxy-N-[(1-methylcycloheptyl)methyl]-1,2-oxazole-5-carboxamide

C14H22N2O3 — CID 75455151

IUPAC3-methoxy-N-[(1-methylcycloheptyl)methyl]-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NCC2(C)CCCCCC2)on1
InChIInChI=1S/C14H22N2O3/c1-14(7-5-3-4-6-8-14)10-15-13(17)11-9-12(18-2)16-19-11/h9H,3-8,10H2,1-2H3,(H,15,17)
InChIKeyXAFOCINIBUARJG-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.77
Rot. Bonds4

About 3-methoxy-N-[(1-methylcycloheptyl)methyl]-1,2-oxazole-5-carboxamide

3-methoxy-N-[(1-methylcycloheptyl)methyl]-1,2-oxazole-5-carboxamide (PubChem CID 75455151) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-methoxy-N-[(1-methylcycloheptyl)methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[(1-methylcycloheptyl)methyl]-1,2-oxazole-5-carboxamide
PubChem CID75455151
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-methoxy-N-[(1-methylcycloheptyl)methyl]-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NCC2(C)CCCCCC2)on1
InChIInChI=1S/C14H22N2O3/c1-14(7-5-3-4-6-8-14)10-15-13(17)11-9-12(18-2)16-19-11/h9H,3-8,10H2,1-2H3,(H,15,17)
InChIKeyXAFOCINIBUARJG-UHFFFAOYSA-N
XLogP2.77
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,7-Diazabicyclo[3.3.1]nonan-3-yl-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 24945460
3-methoxy-N-(3-(2-oxopyrrolidin-1-yl)propyl)isoxazole-5-carboxamide
CID 71802447
3-methoxy-N-(2,2,2-trifluoroethyl)isoxazole-5-carboxamide
CID 71802478
(3R)-1-(3-methoxy-1,2-oxazole-5-carbonyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 164635773
N-[(1S)-3-hydroxy-1-(oxan-4-yl)propyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 164638710
3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]-1,2-oxazole-5-carboxamide
CID 136530267
3-methoxy-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1,2-oxazole-5-carboxamide
CID 136536432
1-(3-methoxy-1,2-oxazole-5-carbonyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 138002379
2-Fluoro-1-[4-[1-(3-methoxy-1,2-oxazole-5-carbonyl)piperidin-4-yl]azepan-1-yl]butan-1-one
CID 154773324
N-(adamantan-1-yl)-3-methoxy-1,2-oxazole-5-carboxamide
CID 71802475
3-methoxy-N-methylisoxazole-5-carboxamide
CID 45099122
3-methoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 59217738

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(1-methylcycloheptyl)methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methoxy-N-[(1-methylcycloheptyl)methyl]-1,2-oxazole-5-carboxamide (CID 75455151) is 3-methoxy-N-[(1-methylcycloheptyl)methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methoxy-N-[(1-methylcycloheptyl)methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methoxy-N-[(1-methylcycloheptyl)methyl]-1,2-oxazole-5-carboxamide is COc1cc(C(=O)NCC2(C)CCCCCC2)on1.
What is the InChIKey of 3-methoxy-N-[(1-methylcycloheptyl)methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is XAFOCINIBUARJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(7-5-3-4-6-8-14)10-15-13(17)11-9-12(18-2)16-19-11/h9H,3-8,10H2,1-2H3,(H,15,17).
What are the key properties of 3-methoxy-N-[(1-methylcycloheptyl)methyl]-1,2-oxazole-5-carboxamide?
3-methoxy-N-[(1-methylcycloheptyl)methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(1-methylcycloheptyl)methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 75455151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).