carbon dioxide;(5-phenylmethoxy-2,3-dihydro-1H-inden-2-yl)-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone

C26H20N2O5 — CID 160946692

IUPACcarbon dioxide;(5-phenylmethoxy-2,3-dihydro-1H-inden-2-yl)-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
SMILESO=C(c1ncc(-c2ccccn2)o1)C1Cc2ccc(OCc3ccccc3)cc2C1.O=C=O
InChIInChI=1S/C25H20N2O3.CO2/c28-24(25-27-15-23(30-25)22-8-4-5-11-26-22)20-12-18-9-10-21(14-19(18)13-20)29-16-17-6-2-1-3-7-17;2-1-3/h1-11,14-15,20H,12-13,16H2;
InChIKeySVFDPDVCCMTFNH-UHFFFAOYSA-N
MW440.46 g/mol
LogP4.33
Rot. Bonds6

About carbon dioxide;(5-phenylmethoxy-2,3-dihydro-1H-inden-2-yl)-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone

carbon dioxide;(5-phenylmethoxy-2,3-dihydro-1H-inden-2-yl)-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone (PubChem CID 160946692) has the molecular formula C26H20N2O5 and a molecular weight of 440.46 g/mol. Its IUPAC name is carbon dioxide;(5-phenylmethoxy-2,3-dihydro-1H-inden-2-yl)-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone.

Molecular Properties

Compound Namecarbon dioxide;(5-phenylmethoxy-2,3-dihydro-1H-inden-2-yl)-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
PubChem CID160946692
Molecular FormulaC26H20N2O5
Molecular Weight440.46 g/mol
Exact Mass440.14
IUPAC Namecarbon dioxide;(5-phenylmethoxy-2,3-dihydro-1H-inden-2-yl)-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
SMILESO=C(c1ncc(-c2ccccn2)o1)C1Cc2ccc(OCc3ccccc3)cc2C1.O=C=O
InChIInChI=1S/C25H20N2O3.CO2/c28-24(25-27-15-23(30-25)22-8-4-5-11-26-22)20-12-18-9-10-21(14-19(18)13-20)29-16-17-6-2-1-3-7-17;2-1-3/h1-11,14-15,20H,12-13,16H2;
InChIKeySVFDPDVCCMTFNH-UHFFFAOYSA-N
XLogP4.33
TPSA99.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,3-dihydro-1H-inden-2-yl-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
CID 52951687
[(2S)-6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
CID 52952694
[(2R)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 52951461
(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 4-phenylmethoxybenzoate
CID 110494815
(6-butoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-(5-iodo-1,3-oxazol-2-yl)methanone
CID 118358562
methyl (2S)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-2-carboxylate
CID 101035313
1-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-2-en-1-one
CID 66775639
4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-[4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-pyridinyl]pyridine
CID 102467208
6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
CID 52952267
(5-isocyano-1,3-oxazol-2-yl)-(6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanol
CID 123821836
3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile
CID 59448572
[3-(4-phenylmethoxybenzoyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenylmethoxybenzoate
CID 76756661

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;(5-phenylmethoxy-2,3-dihydro-1H-inden-2-yl)-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone?
The IUPAC name of carbon dioxide;(5-phenylmethoxy-2,3-dihydro-1H-inden-2-yl)-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone (CID 160946692) is carbon dioxide;(5-phenylmethoxy-2,3-dihydro-1H-inden-2-yl)-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone.
What is the SMILES notation for carbon dioxide;(5-phenylmethoxy-2,3-dihydro-1H-inden-2-yl)-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone?
The canonical SMILES for carbon dioxide;(5-phenylmethoxy-2,3-dihydro-1H-inden-2-yl)-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone is O=C(c1ncc(-c2ccccn2)o1)C1Cc2ccc(OCc3ccccc3)cc2C1.O=C=O.
What is the InChIKey of carbon dioxide;(5-phenylmethoxy-2,3-dihydro-1H-inden-2-yl)-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone?
The InChIKey is SVFDPDVCCMTFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3.CO2/c28-24(25-27-15-23(30-25)22-8-4-5-11-26-22)20-12-18-9-10-21(14-19(18)13-20)29-16-17-6-2-1-3-7-17;2-1-3/h1-11,14-15,20H,12-13,16H2;.
What are the key properties of carbon dioxide;(5-phenylmethoxy-2,3-dihydro-1H-inden-2-yl)-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone?
carbon dioxide;(5-phenylmethoxy-2,3-dihydro-1H-inden-2-yl)-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone has a molecular weight of 440.46 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;(5-phenylmethoxy-2,3-dihydro-1H-inden-2-yl)-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone is sourced from PubChem (CID 160946692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).