(5S)-3-(2-hydroxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C14H13N3O4 — CID 135935919

IUPAC(5S)-3-(2-hydroxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CC(c3ccccc3O)=NO2)no1
InChIInChI=1S/C14H13N3O4/c1-8-6-13(17-20-8)15-14(19)12-7-10(16-21-12)9-4-2-3-5-11(9)18/h2-6,12,18H,7H2,1H3,(H,15,17,19)/t12-/m0/s1
InChIKeyVTDPVMZIYBFVRH-LBPRGKRZSA-N
MW287.28 g/mol
LogP1.82
Rot. Bonds3

About (5S)-3-(2-hydroxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

(5S)-3-(2-hydroxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 135935919) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is (5S)-3-(2-hydroxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-3-(2-hydroxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID135935919
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name(5S)-3-(2-hydroxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CC(c3ccccc3O)=NO2)no1
InChIInChI=1S/C14H13N3O4/c1-8-6-13(17-20-8)15-14(19)12-7-10(16-21-12)9-4-2-3-5-11(9)18/h2-6,12,18H,7H2,1H3,(H,15,17,19)/t12-/m0/s1
InChIKeyVTDPVMZIYBFVRH-LBPRGKRZSA-N
XLogP1.82
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7260064
(5R)-N-(2-hydroxy-5-methylphenyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 135829493
3-(3-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 2962228
3-(2-hydroxyphenyl)-N-(1-propylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 136962145
(5S)-3-(2-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638495
(5S)-N-[(2S)-butan-2-yl]-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 135829531
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41105143
(5S)-3-(2-hydroxyphenyl)-N-[(2R)-1-methoxypropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1093706
(5R)-3-(2-fluorophenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638520
(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
N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493638

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(2-hydroxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-3-(2-hydroxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 135935919) is (5S)-3-(2-hydroxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-3-(2-hydroxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-3-(2-hydroxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1cc(NC(=O)[C@@H]2CC(c3ccccc3O)=NO2)no1.
What is the InChIKey of (5S)-3-(2-hydroxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is VTDPVMZIYBFVRH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-8-6-13(17-20-8)15-14(19)12-7-10(16-21-12)9-4-2-3-5-11(9)18/h2-6,12,18H,7H2,1H3,(H,15,17,19)/t12-/m0/s1.
What are the key properties of (5S)-3-(2-hydroxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5S)-3-(2-hydroxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2-hydroxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 135935919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).