methyl 3-[[(2S,3R)-2-hydroxy-3-methylpentyl]carbamoyl]-1,2-oxazole-5-carboxylate

C12H18N2O5 — CID 124844062

IUPACmethyl 3-[[(2S,3R)-2-hydroxy-3-methylpentyl]carbamoyl]-1,2-oxazole-5-carboxylate
SMILESCC[C@@H](C)[C@H](O)CNC(=O)c1cc(C(=O)OC)on1
InChIInChI=1S/C12H18N2O5/c1-4-7(2)9(15)6-13-11(16)8-5-10(19-14-8)12(17)18-3/h5,7,9,15H,4,6H2,1-3H3,(H,13,16)/t7-,9-/m1/s1
InChIKeyFOVIFQBJCYPTOM-VXNVDRBHSA-N
MW270.28 g/mol
LogP0.60
Rot. Bonds6

About methyl 3-[[(2S,3R)-2-hydroxy-3-methylpentyl]carbamoyl]-1,2-oxazole-5-carboxylate

methyl 3-[[(2S,3R)-2-hydroxy-3-methylpentyl]carbamoyl]-1,2-oxazole-5-carboxylate (PubChem CID 124844062) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is methyl 3-[[(2S,3R)-2-hydroxy-3-methylpentyl]carbamoyl]-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[(2S,3R)-2-hydroxy-3-methylpentyl]carbamoyl]-1,2-oxazole-5-carboxylate
PubChem CID124844062
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Namemethyl 3-[[(2S,3R)-2-hydroxy-3-methylpentyl]carbamoyl]-1,2-oxazole-5-carboxylate
SMILESCC[C@@H](C)[C@H](O)CNC(=O)c1cc(C(=O)OC)on1
InChIInChI=1S/C12H18N2O5/c1-4-7(2)9(15)6-13-11(16)8-5-10(19-14-8)12(17)18-3/h5,7,9,15H,4,6H2,1-3H3,(H,13,16)/t7-,9-/m1/s1
InChIKeyFOVIFQBJCYPTOM-VXNVDRBHSA-N
XLogP0.60
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-hydroxy-2-[(5-methoxycarbonyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 155969876
N-(2-hydroxy-3-methylpentyl)-4-(methoxymethyl)benzamide
CID 71969005
methyl 3-(2-hydroxybutanoyloxy)-1,2-oxazole-5-carboxylate
CID 90880259
N-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 83030687
3-(2-methylsulfinylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369983
N-(2-hydroxy-3-methylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 71917281
N-[(2S,3R)-2-hydroxy-3-methylpentyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 97095637
2-(aminomethyl)-N-(2-hydroxy-3-methylpentyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119784039
3-(ethylcarbamoyl)-1,2-oxazole-5-carbonyl chloride
CID 130015991
3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369494
5-amino-N-(2-hydroxy-3-methylpentyl)-2-methylbenzamide
CID 120632622
methyl 3-(3,3-difluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate
CID 67777697

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2S,3R)-2-hydroxy-3-methylpentyl]carbamoyl]-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 3-[[(2S,3R)-2-hydroxy-3-methylpentyl]carbamoyl]-1,2-oxazole-5-carboxylate (CID 124844062) is methyl 3-[[(2S,3R)-2-hydroxy-3-methylpentyl]carbamoyl]-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 3-[[(2S,3R)-2-hydroxy-3-methylpentyl]carbamoyl]-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 3-[[(2S,3R)-2-hydroxy-3-methylpentyl]carbamoyl]-1,2-oxazole-5-carboxylate is CC[C@@H](C)[C@H](O)CNC(=O)c1cc(C(=O)OC)on1.
What is the InChIKey of methyl 3-[[(2S,3R)-2-hydroxy-3-methylpentyl]carbamoyl]-1,2-oxazole-5-carboxylate?
The InChIKey is FOVIFQBJCYPTOM-VXNVDRBHSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-4-7(2)9(15)6-13-11(16)8-5-10(19-14-8)12(17)18-3/h5,7,9,15H,4,6H2,1-3H3,(H,13,16)/t7-,9-/m1/s1.
What are the key properties of methyl 3-[[(2S,3R)-2-hydroxy-3-methylpentyl]carbamoyl]-1,2-oxazole-5-carboxylate?
methyl 3-[[(2S,3R)-2-hydroxy-3-methylpentyl]carbamoyl]-1,2-oxazole-5-carboxylate has a molecular weight of 270.28 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(2S,3R)-2-hydroxy-3-methylpentyl]carbamoyl]-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 124844062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).