4-[[(3S)-oxolan-3-yl]methyl]-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide

C17H20N2O4 — CID 140818697

IUPAC4-[[(3S)-oxolan-3-yl]methyl]-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
SMILESNC(=O)c1noc(COCc2ccccc2)c1C[C@H]1CCOC1
InChIInChI=1S/C17H20N2O4/c18-17(20)16-14(8-13-6-7-21-10-13)15(23-19-16)11-22-9-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H2,18,20)/t13-/m1/s1
InChIKeyOMVWABBQFKVDCM-CYBMUJFWSA-N
MW316.36 g/mol
LogP2.07
Rot. Bonds7

About 4-[[(3S)-oxolan-3-yl]methyl]-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide

4-[[(3S)-oxolan-3-yl]methyl]-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 140818697) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-[[(3S)-oxolan-3-yl]methyl]-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[[(3S)-oxolan-3-yl]methyl]-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID140818697
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name4-[[(3S)-oxolan-3-yl]methyl]-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
SMILESNC(=O)c1noc(COCc2ccccc2)c1C[C@H]1CCOC1
InChIInChI=1S/C17H20N2O4/c18-17(20)16-14(8-13-6-7-21-10-13)15(23-19-16)11-22-9-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H2,18,20)/t13-/m1/s1
InChIKeyOMVWABBQFKVDCM-CYBMUJFWSA-N
XLogP2.07
TPSA87.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-ethyl-5-(naphthalen-2-ylmethoxymethyl)-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one
CID 157225884
N-[2-(oxolan-3-yl)ethyl]-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 90326031
5-[(2-fluorophenyl)methoxymethyl]-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90325978
N-[2-oxo-2-(oxolan-3-ylmethylamino)ethyl]-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 118698708
1-[5-[(2-fluorophenyl)methoxymethyl]-4-methyl-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one
CID 159404084
1-[4-bromo-5-[(2-fluorophenyl)methoxymethyl]-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one
CID 148732374
N-(oxan-3-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 90326078
4-formyl-5-(naphthalen-2-ylmethoxymethyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90326211
benzyl 4-(oxolan-3-ylmethyl)piperazine-1-carboxylate
CID 71858020
oxolan-3-ylmethyl (2S)-2-amino-3-phenylpropanoate
CID 54977339
N-(oxolan-3-ylmethyl)-5-(1-phenylmethoxyethyl)-1,2-oxazole-3-carboxamide
CID 90326189
3-(oxolan-3-yl)-1-[5-(4-phenylbutoxymethyl)-1,2-oxazol-3-yl]propan-1-one
CID 148781589

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-oxolan-3-yl]methyl]-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[[(3S)-oxolan-3-yl]methyl]-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide (CID 140818697) is 4-[[(3S)-oxolan-3-yl]methyl]-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[[(3S)-oxolan-3-yl]methyl]-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[[(3S)-oxolan-3-yl]methyl]-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide is NC(=O)c1noc(COCc2ccccc2)c1C[C@H]1CCOC1.
What is the InChIKey of 4-[[(3S)-oxolan-3-yl]methyl]-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is OMVWABBQFKVDCM-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N2O4/c18-17(20)16-14(8-13-6-7-21-10-13)15(23-19-16)11-22-9-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H2,18,20)/t13-/m1/s1.
What are the key properties of 4-[[(3S)-oxolan-3-yl]methyl]-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide?
4-[[(3S)-oxolan-3-yl]methyl]-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-oxolan-3-yl]methyl]-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 140818697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).