2-[4-(6-amino-2,5-difluoro-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide

C20H18F2N4O2 — CID 51030542

IUPAC2-[4-(6-amino-2,5-difluoro-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide
SMILESCC1(c2cc(NC(=O)Cc3ccc(-c4cc(F)c(N)nc4F)cc3)no2)CC1
InChIInChI=1S/C20H18F2N4O2/c1-20(6-7-20)15-10-16(26-28-15)24-17(27)8-11-2-4-12(5-3-11)13-9-14(21)19(23)25-18(13)22/h2-5,9-10H,6-8H2,1H3,(H2,23,25)(H,24,26,27)
InChIKeyUAVMABCMUOSEPJ-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.83
Rot. Bonds5

About 2-[4-(6-amino-2,5-difluoro-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide

2-[4-(6-amino-2,5-difluoro-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide (PubChem CID 51030542) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is 2-[4-(6-amino-2,5-difluoro-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-(6-amino-2,5-difluoro-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide
PubChem CID51030542
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name2-[4-(6-amino-2,5-difluoro-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide
SMILESCC1(c2cc(NC(=O)Cc3ccc(-c4cc(F)c(N)nc4F)cc3)no2)CC1
InChIInChI=1S/C20H18F2N4O2/c1-20(6-7-20)15-10-16(26-28-15)24-17(27)8-11-2-4-12(5-3-11)13-9-14(21)19(23)25-18(13)22/h2-5,9-10H,6-8H2,1H3,(H2,23,25)(H,24,26,27)
InChIKeyUAVMABCMUOSEPJ-UHFFFAOYSA-N
XLogP3.83
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-amino-2,5-difluoro-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide?
The IUPAC name of 2-[4-(6-amino-2,5-difluoro-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide (CID 51030542) is 2-[4-(6-amino-2,5-difluoro-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide.
What is the SMILES notation for 2-[4-(6-amino-2,5-difluoro-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide?
The canonical SMILES for 2-[4-(6-amino-2,5-difluoro-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide is CC1(c2cc(NC(=O)Cc3ccc(-c4cc(F)c(N)nc4F)cc3)no2)CC1.
What is the InChIKey of 2-[4-(6-amino-2,5-difluoro-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide?
The InChIKey is UAVMABCMUOSEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c1-20(6-7-20)15-10-16(26-28-15)24-17(27)8-11-2-4-12(5-3-11)13-9-14(21)19(23)25-18(13)22/h2-5,9-10H,6-8H2,1H3,(H2,23,25)(H,24,26,27).
What are the key properties of 2-[4-(6-amino-2,5-difluoro-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide?
2-[4-(6-amino-2,5-difluoro-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide has a molecular weight of 384.39 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-amino-2,5-difluoro-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 51030542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).