(2R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide

C16H21FN2O3 — CID 94616637

IUPAC(2R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
SMILESO=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCO1
InChIInChI=1S/C16H21FN2O3/c17-13-10-12(11-18-16(20)15-2-1-7-22-15)3-4-14(13)19-5-8-21-9-6-19/h3-4,10,15H,1-2,5-9,11H2,(H,18,20)/t15-/m1/s1
InChIKeyFHMYNBFFJKSONB-OAHLLOKOSA-N
MW308.35 g/mol
LogP1.46
Rot. Bonds4

About (2R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide

(2R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide (PubChem CID 94616637) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is (2R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
PubChem CID94616637
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name(2R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
SMILESO=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCO1
InChIInChI=1S/C16H21FN2O3/c17-13-10-12(11-18-16(20)15-2-1-7-22-15)3-4-14(13)19-5-8-21-9-6-19/h3-4,10,15H,1-2,5-9,11H2,(H,18,20)/t15-/m1/s1
InChIKeyFHMYNBFFJKSONB-OAHLLOKOSA-N
XLogP1.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 110405121
trans-(1R,2R)-2-amino-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 124700252
trans-(1S,2S)-2-amino-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 124698857
4-cyano-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperidine-1-carboxamide
CID 48958028
1-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111136737
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 51090955
methyl 1-[N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111253707
N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95614536
N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]cyclopropanecarboxamide
CID 68873168
N-[(4-ethylphenyl)methyl]oxolane-2-carboxamide
CID 110779522
N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide
CID 127697163
N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]oxolane-2-carboxamide
CID 84580144

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide (CID 94616637) is (2R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide is O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide?
The InChIKey is FHMYNBFFJKSONB-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21FN2O3/c17-13-10-12(11-18-16(20)15-2-1-7-22-15)3-4-14(13)19-5-8-21-9-6-19/h3-4,10,15H,1-2,5-9,11H2,(H,18,20)/t15-/m1/s1.
What are the key properties of (2R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide?
(2R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide has a molecular weight of 308.35 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 94616637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).