(2S,3S)-N-[2-(2,6-difluorophenyl)ethyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide

C19H23F2N3O3 — CID 128966214

IUPAC(2S,3S)-N-[2-(2,6-difluorophenyl)ethyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide
SMILESCOCCn1cc([C@H]2OCC[C@@H]2C(=O)NCCc2c(F)cccc2F)cn1
InChIInChI=1S/C19H23F2N3O3/c1-26-10-8-24-12-13(11-23-24)18-15(6-9-27-18)19(25)22-7-5-14-16(20)3-2-4-17(14)21/h2-4,11-12,15,18H,5-10H2,1H3,(H,22,25)/t15-,18+/m0/s1
InChIKeyJXSUJWPKDRQAND-MAUKXSAKSA-N
MW379.41 g/mol
LogP2.24
Rot. Bonds8

About (2S,3S)-N-[2-(2,6-difluorophenyl)ethyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide

(2S,3S)-N-[2-(2,6-difluorophenyl)ethyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide (PubChem CID 128966214) has the molecular formula C19H23F2N3O3 and a molecular weight of 379.41 g/mol. Its IUPAC name is (2S,3S)-N-[2-(2,6-difluorophenyl)ethyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-[2-(2,6-difluorophenyl)ethyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide
PubChem CID128966214
Molecular FormulaC19H23F2N3O3
Molecular Weight379.41 g/mol
Exact Mass379.17
IUPAC Name(2S,3S)-N-[2-(2,6-difluorophenyl)ethyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide
SMILESCOCCn1cc([C@H]2OCC[C@@H]2C(=O)NCCc2c(F)cccc2F)cn1
InChIInChI=1S/C19H23F2N3O3/c1-26-10-8-24-12-13(11-23-24)18-15(6-9-27-18)19(25)22-7-5-14-16(20)3-2-4-17(14)21/h2-4,11-12,15,18H,5-10H2,1H3,(H,22,25)/t15-,18+/m0/s1
InChIKeyJXSUJWPKDRQAND-MAUKXSAKSA-N
XLogP2.24
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[2-(2,6-difluorophenyl)ethyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-[2-(2,6-difluorophenyl)ethyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide (CID 128966214) is (2S,3S)-N-[2-(2,6-difluorophenyl)ethyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-[2-(2,6-difluorophenyl)ethyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-[2-(2,6-difluorophenyl)ethyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide is COCCn1cc([C@H]2OCC[C@@H]2C(=O)NCCc2c(F)cccc2F)cn1.
What is the InChIKey of (2S,3S)-N-[2-(2,6-difluorophenyl)ethyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide?
The InChIKey is JXSUJWPKDRQAND-MAUKXSAKSA-N. The full InChI is InChI=1S/C19H23F2N3O3/c1-26-10-8-24-12-13(11-23-24)18-15(6-9-27-18)19(25)22-7-5-14-16(20)3-2-4-17(14)21/h2-4,11-12,15,18H,5-10H2,1H3,(H,22,25)/t15-,18+/m0/s1.
What are the key properties of (2S,3S)-N-[2-(2,6-difluorophenyl)ethyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide?
(2S,3S)-N-[2-(2,6-difluorophenyl)ethyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide has a molecular weight of 379.41 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[2-(2,6-difluorophenyl)ethyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide is sourced from PubChem (CID 128966214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).