N-[3-(oxolan-2-ylmethoxy)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

C21H22N2O4 — CID 60525118

IUPACN-[3-(oxolan-2-ylmethoxy)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(OCC2CCCO2)c1)C1=NOC(c2ccccc2)C1
InChIInChI=1S/C21H22N2O4/c24-21(19-13-20(27-23-19)15-6-2-1-3-7-15)22-16-8-4-9-17(12-16)26-14-18-10-5-11-25-18/h1-4,6-9,12,18,20H,5,10-11,13-14H2,(H,22,24)
InChIKeyQSLCLSKAVLCMOX-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.70
Rot. Bonds6

About N-[3-(oxolan-2-ylmethoxy)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

N-[3-(oxolan-2-ylmethoxy)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 60525118) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[3-(oxolan-2-ylmethoxy)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(oxolan-2-ylmethoxy)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID60525118
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-[3-(oxolan-2-ylmethoxy)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(OCC2CCCO2)c1)C1=NOC(c2ccccc2)C1
InChIInChI=1S/C21H22N2O4/c24-21(19-13-20(27-23-19)15-6-2-1-3-7-15)22-16-8-4-9-17(12-16)26-14-18-10-5-11-25-18/h1-4,6-9,12,18,20H,5,10-11,13-14H2,(H,22,24)
InChIKeyQSLCLSKAVLCMOX-UHFFFAOYSA-N
XLogP3.70
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902
N-[3-[(3-cyanophenyl)methoxy]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 60525120
2-bromo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41444704
2-fluoro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17141893
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
CID 47162446
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(2-phenylethoxy)benzamide
CID 17141950
3-amino-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide
CID 30831505
3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 42950380
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-propoxybenzamide
CID 17141891
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
N-[3-(oxolan-2-ylmethoxy)phenyl]thiophene-3-carboxamide
CID 46580011

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxolan-2-ylmethoxy)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(oxolan-2-ylmethoxy)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 60525118) is N-[3-(oxolan-2-ylmethoxy)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(oxolan-2-ylmethoxy)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(oxolan-2-ylmethoxy)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is O=C(Nc1cccc(OCC2CCCO2)c1)C1=NOC(c2ccccc2)C1.
What is the InChIKey of N-[3-(oxolan-2-ylmethoxy)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is QSLCLSKAVLCMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c24-21(19-13-20(27-23-19)15-6-2-1-3-7-15)22-16-8-4-9-17(12-16)26-14-18-10-5-11-25-18/h1-4,6-9,12,18,20H,5,10-11,13-14H2,(H,22,24).
What are the key properties of N-[3-(oxolan-2-ylmethoxy)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
N-[3-(oxolan-2-ylmethoxy)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxolan-2-ylmethoxy)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 60525118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).