N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(1-prop-2-enylpyrazol-4-yl)oxan-4-yl]acetamide

C19H21F2N3O2 — CID 50949848

IUPACN-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(1-prop-2-enylpyrazol-4-yl)oxan-4-yl]acetamide
SMILESC=CCn1cc([C@@H]2C[C@H](NC(C)=O)C[C@H](c3cc(F)cc(F)c3)O2)cn1
InChIInChI=1S/C19H21F2N3O2/c1-3-4-24-11-14(10-22-24)19-9-17(23-12(2)25)8-18(26-19)13-5-15(20)7-16(21)6-13/h3,5-7,10-11,17-19H,1,4,8-9H2,2H3,(H,23,25)/t17-,18-,19+/m1/s1
InChIKeyGPGMLFDNBGHAAP-QRVBRYPASA-N
MW361.39 g/mol
LogP3.44
Rot. Bonds5

About N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(1-prop-2-enylpyrazol-4-yl)oxan-4-yl]acetamide

N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(1-prop-2-enylpyrazol-4-yl)oxan-4-yl]acetamide (PubChem CID 50949848) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(1-prop-2-enylpyrazol-4-yl)oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(1-prop-2-enylpyrazol-4-yl)oxan-4-yl]acetamide
PubChem CID50949848
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC NameN-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(1-prop-2-enylpyrazol-4-yl)oxan-4-yl]acetamide
SMILESC=CCn1cc([C@@H]2C[C@H](NC(C)=O)C[C@H](c3cc(F)cc(F)c3)O2)cn1
InChIInChI=1S/C19H21F2N3O2/c1-3-4-24-11-14(10-22-24)19-9-17(23-12(2)25)8-18(26-19)13-5-15(20)7-16(21)6-13/h3,5-7,10-11,17-19H,1,4,8-9H2,2H3,(H,23,25)/t17-,18-,19+/m1/s1
InChIKeyGPGMLFDNBGHAAP-QRVBRYPASA-N
XLogP3.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(1-prop-2-enylpyrazol-4-yl)oxan-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(1-prop-2-enylpyrazol-4-yl)oxan-4-yl]acetamide?
The IUPAC name of N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(1-prop-2-enylpyrazol-4-yl)oxan-4-yl]acetamide (CID 50949848) is N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(1-prop-2-enylpyrazol-4-yl)oxan-4-yl]acetamide.
What is the SMILES notation for N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(1-prop-2-enylpyrazol-4-yl)oxan-4-yl]acetamide?
The canonical SMILES for N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(1-prop-2-enylpyrazol-4-yl)oxan-4-yl]acetamide is C=CCn1cc([C@@H]2C[C@H](NC(C)=O)C[C@H](c3cc(F)cc(F)c3)O2)cn1.
What is the InChIKey of N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(1-prop-2-enylpyrazol-4-yl)oxan-4-yl]acetamide?
The InChIKey is GPGMLFDNBGHAAP-QRVBRYPASA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-3-4-24-11-14(10-22-24)19-9-17(23-12(2)25)8-18(26-19)13-5-15(20)7-16(21)6-13/h3,5-7,10-11,17-19H,1,4,8-9H2,2H3,(H,23,25)/t17-,18-,19+/m1/s1.
What are the key properties of N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(1-prop-2-enylpyrazol-4-yl)oxan-4-yl]acetamide?
N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(1-prop-2-enylpyrazol-4-yl)oxan-4-yl]acetamide has a molecular weight of 361.39 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(1-prop-2-enylpyrazol-4-yl)oxan-4-yl]acetamide is sourced from PubChem (CID 50949848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).