(3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]oxolane-3-carboxamide

C16H15FN2O3 — CID 95594016

IUPAC(3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]oxolane-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)cn1)[C@H]1CCOC1
InChIInChI=1S/C16H15FN2O3/c17-12-1-3-13(4-2-12)22-14-5-6-15(18-9-14)19-16(20)11-7-8-21-10-11/h1-6,9,11H,7-8,10H2,(H,18,19,20)/t11-/m0/s1
InChIKeyNPVREPQYTRWYBS-NSHDSACASA-N
MW302.31 g/mol
LogP2.99
Rot. Bonds4

About (3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]oxolane-3-carboxamide

(3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]oxolane-3-carboxamide (PubChem CID 95594016) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is (3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]oxolane-3-carboxamide
PubChem CID95594016
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name(3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]oxolane-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)cn1)[C@H]1CCOC1
InChIInChI=1S/C16H15FN2O3/c17-12-1-3-13(4-2-12)22-14-5-6-15(18-9-14)19-16(20)11-7-8-21-10-11/h1-6,9,11H,7-8,10H2,(H,18,19,20)/t11-/m0/s1
InChIKeyNPVREPQYTRWYBS-NSHDSACASA-N
XLogP2.99
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-(oxan-4-yl)acetamide
CID 120799878
(2R,3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-methylmorpholine-3-carboxamide
CID 120941039
N-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]oxolane-3-carboxamide
CID 86272978
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]oxolane-3-carboxamide
CID 86850853
N-(6-fluoro-2-pyridinyl)oxolane-3-carboxamide
CID 104820866
N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopropanecarboxamide
CID 117059029
N-(6-methoxypyridazin-3-yl)oxolane-3-carboxamide
CID 155503304
(2R)-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-(4-fluorophenyl)propanamide
CID 167906425
N-[5-(cyclohexylamino)-2-pyridinyl]oxane-4-carboxamide
CID 113024751
3-(5-fluoro-2-pyridinyl)-1-methyl-1-[(3R)-oxolan-3-yl]urea
CID 99597516
N-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxyoxolane-3-carboxamide
CID 90810397
(3R)-N-(5-methyl-1,2-oxazol-3-yl)oxolane-3-carboxamide
CID 27242204

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]oxolane-3-carboxamide (CID 95594016) is (3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]oxolane-3-carboxamide is O=C(Nc1ccc(Oc2ccc(F)cc2)cn1)[C@H]1CCOC1.
What is the InChIKey of (3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]oxolane-3-carboxamide?
The InChIKey is NPVREPQYTRWYBS-NSHDSACASA-N. The full InChI is InChI=1S/C16H15FN2O3/c17-12-1-3-13(4-2-12)22-14-5-6-15(18-9-14)19-16(20)11-7-8-21-10-11/h1-6,9,11H,7-8,10H2,(H,18,19,20)/t11-/m0/s1.
What are the key properties of (3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]oxolane-3-carboxamide?
(3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]oxolane-3-carboxamide has a molecular weight of 302.31 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]oxolane-3-carboxamide is sourced from PubChem (CID 95594016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).