5-ethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenyl-1,2-oxazole-4-carboxamide

C21H20N2O3 — CID 139007457

IUPAC5-ethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCc1onc(-c2ccccc2)c1C(=O)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C21H20N2O3/c1-2-17-18(19(23-26-17)13-8-4-3-5-9-13)21(25)22-20-15-11-7-6-10-14(15)12-16(20)24/h3-11,16,20,24H,2,12H2,1H3,(H,22,25)/t16-,20+/m1/s1
InChIKeyXRNHZBUJKVWGST-UZLBHIALSA-N
MW348.40 g/mol
LogP3.29
Rot. Bonds4

About 5-ethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenyl-1,2-oxazole-4-carboxamide

5-ethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 139007457) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 5-ethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID139007457
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name5-ethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCc1onc(-c2ccccc2)c1C(=O)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C21H20N2O3/c1-2-17-18(19(23-26-17)13-8-4-3-5-9-13)21(25)22-20-15-11-7-6-10-14(15)12-16(20)24/h3-11,16,20,24H,2,12H2,1H3,(H,22,25)/t16-,20+/m1/s1
InChIKeyXRNHZBUJKVWGST-UZLBHIALSA-N
XLogP3.29
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 167771669
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CID 110903496
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4,5-dimethyl-2-phenylfuran-3-carboxamide
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3-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 136580689
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
3,4-diethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-oxo-1H-pyridazine-5-carboxamide
CID 97065230
2,6-difluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103816872
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 103625677
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxamide
CID 104629828
3-ethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
CID 99842360
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 61367776

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenyl-1,2-oxazole-4-carboxamide (CID 139007457) is 5-ethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenyl-1,2-oxazole-4-carboxamide is CCc1onc(-c2ccccc2)c1C(=O)N[C@H]1c2ccccc2C[C@H]1O.
What is the InChIKey of 5-ethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is XRNHZBUJKVWGST-UZLBHIALSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-2-17-18(19(23-26-17)13-8-4-3-5-9-13)21(25)22-20-15-11-7-6-10-14(15)12-16(20)24/h3-11,16,20,24H,2,12H2,1H3,(H,22,25)/t16-,20+/m1/s1.
What are the key properties of 5-ethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenyl-1,2-oxazole-4-carboxamide?
5-ethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 139007457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).