N-[cyano(cyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

C14H19N3O3 — CID 66157343

IUPACN-[cyano(cyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NC(C#N)C2CCCCC2)no1
InChIInChI=1S/C14H19N3O3/c1-19-9-11-7-12(17-20-11)14(18)16-13(8-15)10-5-3-2-4-6-10/h7,10,13H,2-6,9H2,1H3,(H,16,18)
InChIKeyARLSPMLUHJTHDW-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.02
Rot. Bonds5

About N-[cyano(cyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

N-[cyano(cyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 66157343) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[cyano(cyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[cyano(cyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID66157343
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[cyano(cyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NC(C#N)C2CCCCC2)no1
InChIInChI=1S/C14H19N3O3/c1-19-9-11-7-12(17-20-11)14(18)16-13(8-15)10-5-3-2-4-6-10/h7,10,13H,2-6,9H2,1H3,(H,16,18)
InChIKeyARLSPMLUHJTHDW-UHFFFAOYSA-N
XLogP2.02
TPSA88.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyloxy-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 83202345
5-(methoxymethyl)-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 66157357
methyl 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoate
CID 66156389
N-[cyano(cyclohexyl)methyl]-1-methylpyrazole-3-carboxamide
CID 103727982
N-[(2-hydroxycyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66156374
N-[(2S)-1-aminopropan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 120505183
3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 66158499
methyl N-[cyano(cyclohexyl)methyl]carbamate
CID 61124825
N-(1-hydroxy-3-methoxypropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 114079017
N-[4-(ethylamino)cyclohexyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66155543
4-methoxy-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 66157132
4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
CID 66157136

Frequently Asked Questions

What is the IUPAC name of N-[cyano(cyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[cyano(cyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (CID 66157343) is N-[cyano(cyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[cyano(cyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[cyano(cyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is COCc1cc(C(=O)NC(C#N)C2CCCCC2)no1.
What is the InChIKey of N-[cyano(cyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is ARLSPMLUHJTHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-19-9-11-7-12(17-20-11)14(18)16-13(8-15)10-5-3-2-4-6-10/h7,10,13H,2-6,9H2,1H3,(H,16,18).
What are the key properties of N-[cyano(cyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
N-[cyano(cyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(cyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 66157343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).