ethyl 2-[(1-methylpyrazol-4-yl)amino]-1,3-oxazole-4-carboxylate

C10H12N4O3 — CID 113377129

IUPACethyl 2-[(1-methylpyrazol-4-yl)amino]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(Nc2cnn(C)c2)n1
InChIInChI=1S/C10H12N4O3/c1-3-16-9(15)8-6-17-10(13-8)12-7-4-11-14(2)5-7/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyRDYVEZNFHORJII-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.33
Rot. Bonds4

About ethyl 2-[(1-methylpyrazol-4-yl)amino]-1,3-oxazole-4-carboxylate

ethyl 2-[(1-methylpyrazol-4-yl)amino]-1,3-oxazole-4-carboxylate (PubChem CID 113377129) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is ethyl 2-[(1-methylpyrazol-4-yl)amino]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(1-methylpyrazol-4-yl)amino]-1,3-oxazole-4-carboxylate
PubChem CID113377129
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Nameethyl 2-[(1-methylpyrazol-4-yl)amino]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(Nc2cnn(C)c2)n1
InChIInChI=1S/C10H12N4O3/c1-3-16-9(15)8-6-17-10(13-8)12-7-4-11-14(2)5-7/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyRDYVEZNFHORJII-UHFFFAOYSA-N
XLogP1.33
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-(4-fluoroanilino)-1,3-oxazole-4-carboxylate
CID 113377091
ethyl 2-(4-chloro-3-fluoroanilino)-1,3-oxazole-4-carboxylate
CID 113377178
ethyl 2-(2,3,5,6-tetrafluoroanilino)-1,3-oxazole-4-carboxylate
CID 107645105
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-oxazole-4-carboxylate
CID 114008821
ethyl 2-(2-chloro-6-methylanilino)-1,3-oxazole-4-carboxylate
CID 113377331
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-4-carboxylate
CID 53404549
ethyl 2-(3,3-dimethylbutan-2-ylamino)-1,3-oxazole-4-carboxylate
CID 104828592
ethyl 2-(3-methylbut-2-enylamino)-1,3-oxazole-4-carboxylate
CID 106189842
1-[2-[(4-ethoxycarbonyl-1,3-oxazol-2-yl)amino]ethyl]imidazole-4-carboxylic acid
CID 107498278
ethyl 2-[[(1S,2S)-2-hydroxycyclooctyl]amino]-1,3-oxazole-4-carboxylate
CID 146044572
ethyl 2-[(2,3-dimethylcyclopentyl)amino]-1,3-oxazole-4-carboxylate
CID 113377315
ethyl 2-[(2-oxopiperidin-3-yl)amino]-1,3-oxazole-4-carboxylate
CID 113377250

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-methylpyrazol-4-yl)amino]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[(1-methylpyrazol-4-yl)amino]-1,3-oxazole-4-carboxylate (CID 113377129) is ethyl 2-[(1-methylpyrazol-4-yl)amino]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(1-methylpyrazol-4-yl)amino]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(1-methylpyrazol-4-yl)amino]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(Nc2cnn(C)c2)n1.
What is the InChIKey of ethyl 2-[(1-methylpyrazol-4-yl)amino]-1,3-oxazole-4-carboxylate?
The InChIKey is RDYVEZNFHORJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-3-16-9(15)8-6-17-10(13-8)12-7-4-11-14(2)5-7/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of ethyl 2-[(1-methylpyrazol-4-yl)amino]-1,3-oxazole-4-carboxylate?
ethyl 2-[(1-methylpyrazol-4-yl)amino]-1,3-oxazole-4-carboxylate has a molecular weight of 236.23 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-methylpyrazol-4-yl)amino]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 113377129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).