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

C13H20N2O4 — CID 103707640

IUPACN-[(3-hydroxycyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NCC2CCCC(O)C2)no1
InChIInChI=1S/C13H20N2O4/c1-18-8-11-6-12(15-19-11)13(17)14-7-9-3-2-4-10(16)5-9/h6,9-10,16H,2-5,7-8H2,1H3,(H,14,17)
InChIKeyJSUFPYJLTDPWDC-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.10
Rot. Bonds5

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

N-[(3-hydroxycyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 103707640) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID103707640
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NCC2CCCC(O)C2)no1
InChIInChI=1S/C13H20N2O4/c1-18-8-11-6-12(15-19-11)13(17)14-7-9-3-2-4-10(16)5-9/h6,9-10,16H,2-5,7-8H2,1H3,(H,14,17)
InChIKeyJSUFPYJLTDPWDC-UHFFFAOYSA-N
XLogP1.10
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-hydroxycyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66156374
N-cyclopentyloxy-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 83202345
N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 113241300
5-ethyl-N-[(3-hydroxycyclohexyl)methyl]-1H-pyrazole-3-carboxamide
CID 111459726
1-[(3-hydroxycyclohexyl)methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
CID 111506323
N-[(3-hydroxycyclohexyl)methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 111460192
N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103691139
5-(methoxymethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1,2-oxazole-3-carboxamide
CID 128996092
N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 111460504
N-[(3-hydroxycyclopentyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 103280197
6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide
CID 114146199
5-(methoxymethyl)-N-[[(2S,3S)-1-methyl-2-phenylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 98848048

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (CID 103707640) is N-[(3-hydroxycyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is COCc1cc(C(=O)NCC2CCCC(O)C2)no1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is JSUFPYJLTDPWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-18-8-11-6-12(15-19-11)13(17)14-7-9-3-2-4-10(16)5-9/h6,9-10,16H,2-5,7-8H2,1H3,(H,14,17).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
N-[(3-hydroxycyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 268.31 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 103707640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).