methyl 3-(tert-butylcarbamoyl)-5-(cyclopropylcarbamoyl)-1,2-oxazole-4-carboxylate

C14H19N3O5 — CID 19767055

IUPACmethyl 3-(tert-butylcarbamoyl)-5-(cyclopropylcarbamoyl)-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(C(=O)NC(C)(C)C)noc1C(=O)NC1CC1
InChIInChI=1S/C14H19N3O5/c1-14(2,3)16-11(18)9-8(13(20)21-4)10(22-17-9)12(19)15-7-5-6-7/h7H,5-6H2,1-4H3,(H,15,19)(H,16,18)
InChIKeyREYBWJIEOJPXEL-UHFFFAOYSA-N
MW309.32 g/mol
LogP0.88
Rot. Bonds4

About methyl 3-(tert-butylcarbamoyl)-5-(cyclopropylcarbamoyl)-1,2-oxazole-4-carboxylate

methyl 3-(tert-butylcarbamoyl)-5-(cyclopropylcarbamoyl)-1,2-oxazole-4-carboxylate (PubChem CID 19767055) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is methyl 3-(tert-butylcarbamoyl)-5-(cyclopropylcarbamoyl)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(tert-butylcarbamoyl)-5-(cyclopropylcarbamoyl)-1,2-oxazole-4-carboxylate
PubChem CID19767055
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Namemethyl 3-(tert-butylcarbamoyl)-5-(cyclopropylcarbamoyl)-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(C(=O)NC(C)(C)C)noc1C(=O)NC1CC1
InChIInChI=1S/C14H19N3O5/c1-14(2,3)16-11(18)9-8(13(20)21-4)10(22-17-9)12(19)15-7-5-6-7/h7H,5-6H2,1-4H3,(H,15,19)(H,16,18)
InChIKeyREYBWJIEOJPXEL-UHFFFAOYSA-N
XLogP0.88
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(tert-butylcarbamoyl)-5-(cyclopropylcarbamoyl)-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 3-(tert-butylcarbamoyl)-5-(cyclopropylcarbamoyl)-1,2-oxazole-4-carboxylate (CID 19767055) is methyl 3-(tert-butylcarbamoyl)-5-(cyclopropylcarbamoyl)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 3-(tert-butylcarbamoyl)-5-(cyclopropylcarbamoyl)-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 3-(tert-butylcarbamoyl)-5-(cyclopropylcarbamoyl)-1,2-oxazole-4-carboxylate is COC(=O)c1c(C(=O)NC(C)(C)C)noc1C(=O)NC1CC1.
What is the InChIKey of methyl 3-(tert-butylcarbamoyl)-5-(cyclopropylcarbamoyl)-1,2-oxazole-4-carboxylate?
The InChIKey is REYBWJIEOJPXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5/c1-14(2,3)16-11(18)9-8(13(20)21-4)10(22-17-9)12(19)15-7-5-6-7/h7H,5-6H2,1-4H3,(H,15,19)(H,16,18).
What are the key properties of methyl 3-(tert-butylcarbamoyl)-5-(cyclopropylcarbamoyl)-1,2-oxazole-4-carboxylate?
methyl 3-(tert-butylcarbamoyl)-5-(cyclopropylcarbamoyl)-1,2-oxazole-4-carboxylate has a molecular weight of 309.32 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(tert-butylcarbamoyl)-5-(cyclopropylcarbamoyl)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 19767055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).