3-ethyl-N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methyl-1,2-oxazole-4-carboxamide

C12H18N2O4 — CID 91781523

IUPAC3-ethyl-N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)N[C@@H]1CCOC[C@H]1O
InChIInChI=1S/C12H18N2O4/c1-3-8-11(7(2)18-14-8)12(16)13-9-4-5-17-6-10(9)15/h9-10,15H,3-6H2,1-2H3,(H,13,16)/t9-,10-/m1/s1
InChIKeyOPMWFXGHBDRGNO-NXEZZACHSA-N
MW254.29 g/mol
LogP0.43
Rot. Bonds3

About 3-ethyl-N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methyl-1,2-oxazole-4-carboxamide

3-ethyl-N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 91781523) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-ethyl-N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID91781523
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name3-ethyl-N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)N[C@@H]1CCOC[C@H]1O
InChIInChI=1S/C12H18N2O4/c1-3-8-11(7(2)18-14-8)12(16)13-9-4-5-17-6-10(9)15/h9-10,15H,3-6H2,1-2H3,(H,13,16)/t9-,10-/m1/s1
InChIKeyOPMWFXGHBDRGNO-NXEZZACHSA-N
XLogP0.43
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 104927948
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CID 91772759
3-ethyl-N-(4-hydroxycyclohexyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43392593
3-ethyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1,2-oxazole-4-carboxamide
CID 91797644
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64813133
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64812677
3-ethyl-5-methyl-N-[(1R,2R)-2-phenylcyclopropyl]-1,2-oxazole-4-carboxamide
CID 97314194
3-ethyl-5-methyl-N-(2-phenylcyclopropyl)-1,2-oxazole-4-carboxamide
CID 47734044
N-(3,3-dimethylcyclopentyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 115882523
N-(2-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 62360696
N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 31364787
N-(1-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 18194330

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methyl-1,2-oxazole-4-carboxamide (CID 91781523) is 3-ethyl-N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)N[C@@H]1CCOC[C@H]1O.
What is the InChIKey of 3-ethyl-N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is OPMWFXGHBDRGNO-NXEZZACHSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-3-8-11(7(2)18-14-8)12(16)13-9-4-5-17-6-10(9)15/h9-10,15H,3-6H2,1-2H3,(H,13,16)/t9-,10-/m1/s1.
What are the key properties of 3-ethyl-N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methyl-1,2-oxazole-4-carboxamide?
3-ethyl-N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 91781523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).