4-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)oxane-4-carboxamide

C22H30N2O5 — CID 110215419

IUPAC4-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)oxane-4-carboxamide
SMILESCOc1ccccc1C1=NOC(CC2(C(=O)NCC3CCCO3)CCOCC2)C1
InChIInChI=1S/C22H30N2O5/c1-26-20-7-3-2-6-18(20)19-13-17(29-24-19)14-22(8-11-27-12-9-22)21(25)23-15-16-5-4-10-28-16/h2-3,6-7,16-17H,4-5,8-15H2,1H3,(H,23,25)
InChIKeyIZTMRPGNXUCGOQ-UHFFFAOYSA-N
MW402.49 g/mol
LogP2.67
Rot. Bonds7

About 4-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)oxane-4-carboxamide

4-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)oxane-4-carboxamide (PubChem CID 110215419) has the molecular formula C22H30N2O5 and a molecular weight of 402.49 g/mol. Its IUPAC name is 4-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)oxane-4-carboxamide
PubChem CID110215419
Molecular FormulaC22H30N2O5
Molecular Weight402.49 g/mol
Exact Mass402.22
IUPAC Name4-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)oxane-4-carboxamide
SMILESCOc1ccccc1C1=NOC(CC2(C(=O)NCC3CCCO3)CCOCC2)C1
InChIInChI=1S/C22H30N2O5/c1-26-20-7-3-2-6-18(20)19-13-17(29-24-19)14-22(8-11-27-12-9-22)21(25)23-15-16-5-4-10-28-16/h2-3,6-7,16-17H,4-5,8-15H2,1H3,(H,23,25)
InChIKeyIZTMRPGNXUCGOQ-UHFFFAOYSA-N
XLogP2.67
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyethyl)-4-[[(5R)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxane-4-carboxamide
CID 92601415
N-(2-methoxyethyl)-4-[[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxane-4-carboxamide
CID 92611171
4-[[(5R)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxane-4-carboxylic acid
CID 92601426
N-[2-(3-fluorophenyl)ethyl]-4-[[(5R)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxane-4-carboxamide
CID 92601419
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-[4-[[(5R)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxan-4-yl]methanone
CID 92601395
4-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(4-methoxyphenyl)methyl]oxane-4-carboxamide
CID 110215352
5-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391661
N-(3-imidazol-1-ylpropyl)-4-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxane-4-carboxamide
CID 46954516
5-(2-methoxyphenyl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 46096842
N-[[(2S)-oxolan-2-yl]methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 124951201
(5S)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465357
(5R)-3-(4-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503556

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)oxane-4-carboxamide?
The IUPAC name of 4-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)oxane-4-carboxamide (CID 110215419) is 4-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)oxane-4-carboxamide?
The canonical SMILES for 4-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)oxane-4-carboxamide is COc1ccccc1C1=NOC(CC2(C(=O)NCC3CCCO3)CCOCC2)C1.
What is the InChIKey of 4-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)oxane-4-carboxamide?
The InChIKey is IZTMRPGNXUCGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5/c1-26-20-7-3-2-6-18(20)19-13-17(29-24-19)14-22(8-11-27-12-9-22)21(25)23-15-16-5-4-10-28-16/h2-3,6-7,16-17H,4-5,8-15H2,1H3,(H,23,25).
What are the key properties of 4-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)oxane-4-carboxamide?
4-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)oxane-4-carboxamide has a molecular weight of 402.49 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)oxane-4-carboxamide is sourced from PubChem (CID 110215419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).