(5S)-N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C20H19FN2O3 — CID 51881320

IUPAC(5S)-N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC[C@@H]1COc2ccccc2C1)[C@@H]1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C20H19FN2O3/c21-16-6-3-5-14(9-16)17-10-19(26-23-17)20(24)22-11-13-8-15-4-1-2-7-18(15)25-12-13/h1-7,9,13,19H,8,10-12H2,(H,22,24)/t13-,19+/m1/s1
InChIKeyYHFMMXVTTPLQFA-YJYMSZOUSA-N
MW354.38 g/mol
LogP2.69
Rot. Bonds4

About (5S)-N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

(5S)-N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 51881320) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is (5S)-N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID51881320
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name(5S)-N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC[C@@H]1COc2ccccc2C1)[C@@H]1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C20H19FN2O3/c21-16-6-3-5-14(9-16)17-10-19(26-23-17)20(24)22-11-13-8-15-4-1-2-7-18(15)25-12-13/h1-7,9,13,19H,8,10-12H2,(H,22,24)/t13-,19+/m1/s1
InChIKeyYHFMMXVTTPLQFA-YJYMSZOUSA-N
XLogP2.69
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 94630248
N-[(3-fluoro-4-methylphenyl)methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43071810
3-(3-fluorophenyl)-N-(2-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43068940
3-(2,5-difluorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 91642654
N-cyclohexyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46427951
(5R)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 94658417
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 47849317
N-(3-acetamidophenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43068886
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 154833851
3-(3-fluorophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55667940
N-(3-chloro-2-fluorophenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46427461
3-(3-fluorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43071660

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 51881320) is (5S)-N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NC[C@@H]1COc2ccccc2C1)[C@@H]1CC(c2cccc(F)c2)=NO1.
What is the InChIKey of (5S)-N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is YHFMMXVTTPLQFA-YJYMSZOUSA-N. The full InChI is InChI=1S/C20H19FN2O3/c21-16-6-3-5-14(9-16)17-10-19(26-23-17)20(24)22-11-13-8-15-4-1-2-7-18(15)25-12-13/h1-7,9,13,19H,8,10-12H2,(H,22,24)/t13-,19+/m1/s1.
What are the key properties of (5S)-N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5S)-N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 354.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 51881320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).