(5R)-3-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylate

C9H10N3O3- — CID 7247937

IUPAC(5R)-3-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCCn1cc(C2=NO[C@@H](C(=O)[O-])C2)cn1
InChIInChI=1S/C9H11N3O3/c1-2-12-5-6(4-10-12)7-3-8(9(13)14)15-11-7/h4-5,8H,2-3H2,1H3,(H,13,14)/p-1/t8-/m1/s1
InChIKeyYGKJZKMEDVSDGT-MRVPVSSYSA-M
MW208.20 g/mol
LogP-0.85
Rot. Bonds3

About (5R)-3-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylate

(5R)-3-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylate (PubChem CID 7247937) has the molecular formula C9H10N3O3- and a molecular weight of 208.20 g/mol. Its IUPAC name is (5R)-3-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name(5R)-3-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylate
PubChem CID7247937
Molecular FormulaC9H10N3O3-
Molecular Weight208.20 g/mol
Exact Mass208.07
IUPAC Name(5R)-3-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCCn1cc(C2=NO[C@@H](C(=O)[O-])C2)cn1
InChIInChI=1S/C9H11N3O3/c1-2-12-5-6(4-10-12)7-3-8(9(13)14)15-11-7/h4-5,8H,2-3H2,1H3,(H,13,14)/p-1/t8-/m1/s1
InChIKeyYGKJZKMEDVSDGT-MRVPVSSYSA-M
XLogP-0.85
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 5-0.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
The IUPAC name of (5R)-3-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylate (CID 7247937) is (5R)-3-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylate.
What is the SMILES notation for (5R)-3-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
The canonical SMILES for (5R)-3-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylate is CCn1cc(C2=NO[C@@H](C(=O)[O-])C2)cn1.
What is the InChIKey of (5R)-3-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
The InChIKey is YGKJZKMEDVSDGT-MRVPVSSYSA-M. The full InChI is InChI=1S/C9H11N3O3/c1-2-12-5-6(4-10-12)7-3-8(9(13)14)15-11-7/h4-5,8H,2-3H2,1H3,(H,13,14)/p-1/t8-/m1/s1.
What are the key properties of (5R)-3-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
(5R)-3-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylate has a molecular weight of 208.20 g/mol, XLogP of -0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 7247937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).