5-[[5-(4,5-difluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide

C17H15F2N5O4 — CID 167171684

IUPAC5-[[5-(4,5-difluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide
SMILESO=C(NC[C@@H](O)CO)c1ccc(Nc2ncc(-c3cc(F)c(F)cn3)o2)cn1
InChIInChI=1S/C17H15F2N5O4/c18-11-3-14(21-6-12(11)19)15-7-23-17(28-15)24-9-1-2-13(20-4-9)16(27)22-5-10(26)8-25/h1-4,6-7,10,25-26H,5,8H2,(H,22,27)(H,23,24)/t10-/m1/s1
InChIKeyCGRNWSOCERTHNU-SNVBAGLBSA-N
MW391.33 g/mol
LogP1.24
Rot. Bonds7

About 5-[[5-(4,5-difluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide

5-[[5-(4,5-difluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide (PubChem CID 167171684) has the molecular formula C17H15F2N5O4 and a molecular weight of 391.33 g/mol. Its IUPAC name is 5-[[5-(4,5-difluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[5-(4,5-difluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide
PubChem CID167171684
Molecular FormulaC17H15F2N5O4
Molecular Weight391.33 g/mol
Exact Mass391.11
IUPAC Name5-[[5-(4,5-difluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide
SMILESO=C(NC[C@@H](O)CO)c1ccc(Nc2ncc(-c3cc(F)c(F)cn3)o2)cn1
InChIInChI=1S/C17H15F2N5O4/c18-11-3-14(21-6-12(11)19)15-7-23-17(28-15)24-9-1-2-13(20-4-9)16(27)22-5-10(26)8-25/h1-4,6-7,10,25-26H,5,8H2,(H,22,27)(H,23,24)/t10-/m1/s1
InChIKeyCGRNWSOCERTHNU-SNVBAGLBSA-N
XLogP1.24
TPSA133.40 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.33
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(4,5-difluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide?
The IUPAC name of 5-[[5-(4,5-difluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide (CID 167171684) is 5-[[5-(4,5-difluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[5-(4,5-difluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[[5-(4,5-difluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide is O=C(NC[C@@H](O)CO)c1ccc(Nc2ncc(-c3cc(F)c(F)cn3)o2)cn1.
What is the InChIKey of 5-[[5-(4,5-difluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide?
The InChIKey is CGRNWSOCERTHNU-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H15F2N5O4/c18-11-3-14(21-6-12(11)19)15-7-23-17(28-15)24-9-1-2-13(20-4-9)16(27)22-5-10(26)8-25/h1-4,6-7,10,25-26H,5,8H2,(H,22,27)(H,23,24)/t10-/m1/s1.
What are the key properties of 5-[[5-(4,5-difluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide?
5-[[5-(4,5-difluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide has a molecular weight of 391.33 g/mol, XLogP of 1.24, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(4,5-difluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide is sourced from PubChem (CID 167171684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).