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

C16H18N2O4 — CID 43911417

IUPAC3-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2OCC2CCCO2)on1
InChIInChI=1S/C16H18N2O4/c1-11-9-15(22-18-11)16(19)17-13-6-2-3-7-14(13)21-10-12-5-4-8-20-12/h2-3,6-7,9,12H,4-5,8,10H2,1H3,(H,17,19)
InChIKeyMHNBFHOPFODPIY-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.79
Rot. Bonds5

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

3-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 43911417) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide
PubChem CID43911417
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name3-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2OCC2CCCO2)on1
InChIInChI=1S/C16H18N2O4/c1-11-9-15(22-18-11)16(19)17-13-6-2-3-7-14(13)21-10-12-5-4-8-20-12/h2-3,6-7,9,12H,4-5,8,10H2,1H3,(H,17,19)
InChIKeyMHNBFHOPFODPIY-UHFFFAOYSA-N
XLogP2.79
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200
3-ethyl-5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide
CID 131919040
5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 131932626
2-methoxy-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386282
2-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenoxy]acetic acid
CID 63747201
4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17170162
3-methyl-N-(2-prop-2-enoxyphenyl)-1,2-oxazole-5-carboxamide
CID 43911392
3-acetamido-4-methyl-N-[2-(oxan-2-ylmethoxy)phenyl]benzamide
CID 86835564
3-methyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide
CID 17170320
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
N-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 2590932

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide (CID 43911417) is 3-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2ccccc2OCC2CCCO2)on1.
What is the InChIKey of 3-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is MHNBFHOPFODPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-11-9-15(22-18-11)16(19)17-13-6-2-3-7-14(13)21-10-12-5-4-8-20-12/h2-3,6-7,9,12H,4-5,8,10H2,1H3,(H,17,19).
What are the key properties of 3-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 43911417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).