4-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide

C20H21N3O4 — CID 135527075

IUPAC4-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(-c2conc2-c2c[nH]c(C(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C20H21N3O4/c1-25-15-6-4-13(5-7-15)17-12-27-23-19(17)14-9-18(21-10-14)20(24)22-11-16-3-2-8-26-16/h4-7,9-10,12,16,21H,2-3,8,11H2,1H3,(H,22,24)
InChIKeyFLWTWSFTXWYCJA-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.25
Rot. Bonds6

About 4-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide

4-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 135527075) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID135527075
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name4-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(-c2conc2-c2c[nH]c(C(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C20H21N3O4/c1-25-15-6-4-13(5-7-15)17-12-27-23-19(17)14-9-18(21-10-14)20(24)22-11-16-3-2-8-26-16/h4-7,9-10,12,16,21H,2-3,8,11H2,1H3,(H,22,24)
InChIKeyFLWTWSFTXWYCJA-UHFFFAOYSA-N
XLogP3.25
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide
CID 51718226
5-(4-methoxyphenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 92757648
4-methoxy-N-[[(2S)-oxolan-2-yl]methylcarbamothioyl]benzamide
CID 806255
4-N-[(4-methoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045580
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1H-pyrrole-2-carboxamide
CID 135527123
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
7-methoxy-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-quinoline-3-carboxamide
CID 51684426
3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 19510216
N-(oxolan-2-ylmethyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 133159030
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 7419913
2-N-[2-(4-methoxyphenyl)ethyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096161
4-N-[2-(4-methoxyphenoxy)ethyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083297

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide (CID 135527075) is 4-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide is COc1ccc(-c2conc2-c2c[nH]c(C(=O)NCC3CCCO3)c2)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is FLWTWSFTXWYCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-25-15-6-4-13(5-7-15)17-12-27-23-19(17)14-9-18(21-10-14)20(24)22-11-16-3-2-8-26-16/h4-7,9-10,12,16,21H,2-3,8,11H2,1H3,(H,22,24).
What are the key properties of 4-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
4-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 135527075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).