(5S)-3-(2-hydroxyphenyl)-N-[(2R)-1-methoxypropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C14H18N2O4 — CID 1093706

IUPAC(5S)-3-(2-hydroxyphenyl)-N-[(2R)-1-methoxypropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOC[C@@H](C)NC(=O)[C@@H]1CC(c2ccccc2O)=NO1
InChIInChI=1S/C14H18N2O4/c1-9(8-19-2)15-14(18)13-7-11(16-20-13)10-5-3-4-6-12(10)17/h3-6,9,13,17H,7-8H2,1-2H3,(H,15,18)/t9-,13+/m1/s1
InChIKeyAYNRCHDMPCTWAT-RNCFNFMXSA-N
MW278.31 g/mol
LogP1.04
Rot. Bonds5

About (5S)-3-(2-hydroxyphenyl)-N-[(2R)-1-methoxypropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide

(5S)-3-(2-hydroxyphenyl)-N-[(2R)-1-methoxypropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 1093706) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (5S)-3-(2-hydroxyphenyl)-N-[(2R)-1-methoxypropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-3-(2-hydroxyphenyl)-N-[(2R)-1-methoxypropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID1093706
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(5S)-3-(2-hydroxyphenyl)-N-[(2R)-1-methoxypropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOC[C@@H](C)NC(=O)[C@@H]1CC(c2ccccc2O)=NO1
InChIInChI=1S/C14H18N2O4/c1-9(8-19-2)15-14(18)13-7-11(16-20-13)10-5-3-4-6-12(10)17/h3-6,9,13,17H,7-8H2,1-2H3,(H,15,18)/t9-,13+/m1/s1
InChIKeyAYNRCHDMPCTWAT-RNCFNFMXSA-N
XLogP1.04
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-hydroxyphenyl)-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3158148
(5S)-N-[(2S)-butan-2-yl]-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 135829531
(5S)-N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7260009
(5R)-N-[(2R)-butan-2-yl]-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7260010
3-(2-fluorophenyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 20869151
(5R)-3-(2-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638470
3-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 45176393
(5S)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95322598
3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493674
(5R)-3-(2-hydroxyphenyl)-N-(thiophen-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1302303
(5R)-N-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1302290
(5S)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylphenyl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 29095330

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(2-hydroxyphenyl)-N-[(2R)-1-methoxypropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-3-(2-hydroxyphenyl)-N-[(2R)-1-methoxypropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 1093706) is (5S)-3-(2-hydroxyphenyl)-N-[(2R)-1-methoxypropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-3-(2-hydroxyphenyl)-N-[(2R)-1-methoxypropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-3-(2-hydroxyphenyl)-N-[(2R)-1-methoxypropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide is COC[C@@H](C)NC(=O)[C@@H]1CC(c2ccccc2O)=NO1.
What is the InChIKey of (5S)-3-(2-hydroxyphenyl)-N-[(2R)-1-methoxypropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is AYNRCHDMPCTWAT-RNCFNFMXSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9(8-19-2)15-14(18)13-7-11(16-20-13)10-5-3-4-6-12(10)17/h3-6,9,13,17H,7-8H2,1-2H3,(H,15,18)/t9-,13+/m1/s1.
What are the key properties of (5S)-3-(2-hydroxyphenyl)-N-[(2R)-1-methoxypropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5S)-3-(2-hydroxyphenyl)-N-[(2R)-1-methoxypropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2-hydroxyphenyl)-N-[(2R)-1-methoxypropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 1093706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).