methyl 3-[2-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)amino]propan-2-yl]-1,2-oxazole-4-carboxylate

C14H17N3O5 — CID 126827898

IUPACmethyl 3-[2-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)amino]propan-2-yl]-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1conc1C(C)(C)NC(=O)c1nc(C)oc1C
InChIInChI=1S/C14H17N3O5/c1-7-10(15-8(2)22-7)12(18)16-14(3,4)11-9(6-21-17-11)13(19)20-5/h6H,1-5H3,(H,16,18)
InChIKeyCJXQTTLZTMCPQP-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.73
Rot. Bonds4

About methyl 3-[2-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)amino]propan-2-yl]-1,2-oxazole-4-carboxylate

methyl 3-[2-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)amino]propan-2-yl]-1,2-oxazole-4-carboxylate (PubChem CID 126827898) has the molecular formula C14H17N3O5 and a molecular weight of 307.31 g/mol. Its IUPAC name is methyl 3-[2-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)amino]propan-2-yl]-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)amino]propan-2-yl]-1,2-oxazole-4-carboxylate
PubChem CID126827898
Molecular FormulaC14H17N3O5
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Namemethyl 3-[2-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)amino]propan-2-yl]-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1conc1C(C)(C)NC(=O)c1nc(C)oc1C
InChIInChI=1S/C14H17N3O5/c1-7-10(15-8(2)22-7)12(18)16-14(3,4)11-9(6-21-17-11)13(19)20-5/h6H,1-5H3,(H,16,18)
InChIKeyCJXQTTLZTMCPQP-UHFFFAOYSA-N
XLogP1.73
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[2-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)amino]propan-2-yl]-1,2-oxazole-4-carboxylate with MolForge

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Related Compounds

methyl 3-(2-aminopropan-2-yl)-1,2-oxazole-4-carboxylate;hydrochloride
CID 119031514
methyl 3-methyl-1,2-oxazole-4-carboxylate
CID 5249569
methyl 3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate
CID 125489980
N-(3,5-dimethoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195130
ethyl 3-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylate
CID 154642728
dimethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate
CID 104865012
methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazole-4-carboxylate
CID 168861760
methyl 2-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylate
CID 122151755
3-(1,1-difluoroethyl)-1,2-oxazole-4-carboxylic acid
CID 154984070
methyl 3-(2-methylphenyl)-1,2-oxazole-4-carboxylate
CID 870098
2,5-dimethyl-N-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,3-oxazole-4-carboxamide
CID 167747929
methyl 2-methyl-1,3-benzoxazole-4-carboxylate
CID 14616762

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)amino]propan-2-yl]-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 3-[2-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)amino]propan-2-yl]-1,2-oxazole-4-carboxylate (CID 126827898) is methyl 3-[2-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)amino]propan-2-yl]-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 3-[2-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)amino]propan-2-yl]-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 3-[2-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)amino]propan-2-yl]-1,2-oxazole-4-carboxylate is COC(=O)c1conc1C(C)(C)NC(=O)c1nc(C)oc1C.
What is the InChIKey of methyl 3-[2-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)amino]propan-2-yl]-1,2-oxazole-4-carboxylate?
The InChIKey is CJXQTTLZTMCPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5/c1-7-10(15-8(2)22-7)12(18)16-14(3,4)11-9(6-21-17-11)13(19)20-5/h6H,1-5H3,(H,16,18).
What are the key properties of methyl 3-[2-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)amino]propan-2-yl]-1,2-oxazole-4-carboxylate?
methyl 3-[2-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)amino]propan-2-yl]-1,2-oxazole-4-carboxylate has a molecular weight of 307.31 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)amino]propan-2-yl]-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 126827898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).