N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-3-methoxy-1,2-oxazole-5-carboxamide

C14H18N4O4 — CID 129006219

IUPACN-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCCn1cc([C@H]2OCC[C@@H]2NC(=O)c2cc(OC)no2)cn1
InChIInChI=1S/C14H18N4O4/c1-3-18-8-9(7-15-18)13-10(4-5-21-13)16-14(19)11-6-12(20-2)17-22-11/h6-8,10,13H,3-5H2,1-2H3,(H,16,19)/t10-,13+/m0/s1
InChIKeyOEQODWJFDDSOLU-GXFFZTMASA-N
MW306.32 g/mol
LogP1.16
Rot. Bonds5

About N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-3-methoxy-1,2-oxazole-5-carboxamide

N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-3-methoxy-1,2-oxazole-5-carboxamide (PubChem CID 129006219) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-3-methoxy-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-3-methoxy-1,2-oxazole-5-carboxamide
PubChem CID129006219
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC NameN-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCCn1cc([C@H]2OCC[C@@H]2NC(=O)c2cc(OC)no2)cn1
InChIInChI=1S/C14H18N4O4/c1-3-18-8-9(7-15-18)13-10(4-5-21-13)16-14(19)11-6-12(20-2)17-22-11/h6-8,10,13H,3-5H2,1-2H3,(H,16,19)/t10-,13+/m0/s1
InChIKeyOEQODWJFDDSOLU-GXFFZTMASA-N
XLogP1.16
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-3-methoxy-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-3-methoxy-1,2-oxazole-5-carboxamide (CID 129006219) is N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-3-methoxy-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-3-methoxy-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-3-methoxy-1,2-oxazole-5-carboxamide is CCn1cc([C@H]2OCC[C@@H]2NC(=O)c2cc(OC)no2)cn1.
What is the InChIKey of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-3-methoxy-1,2-oxazole-5-carboxamide?
The InChIKey is OEQODWJFDDSOLU-GXFFZTMASA-N. The full InChI is InChI=1S/C14H18N4O4/c1-3-18-8-9(7-15-18)13-10(4-5-21-13)16-14(19)11-6-12(20-2)17-22-11/h6-8,10,13H,3-5H2,1-2H3,(H,16,19)/t10-,13+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-3-methoxy-1,2-oxazole-5-carboxamide?
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-3-methoxy-1,2-oxazole-5-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-3-methoxy-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 129006219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).