5-[[4-methyl-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]furan-2-carboxylic acid

C18H19NO6 — CID 129466833

IUPAC5-[[4-methyl-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]furan-2-carboxylic acid
SMILESCc1ccc(NC(=O)c2ccc(C(=O)O)o2)c(OC[C@@H]2CCCO2)c1
InChIInChI=1S/C18H19NO6/c1-11-4-5-13(16(9-11)24-10-12-3-2-8-23-12)19-17(20)14-6-7-15(25-14)18(21)22/h4-7,9,12H,2-3,8,10H2,1H3,(H,19,20)(H,21,22)/t12-/m0/s1
InChIKeyYZJXJAQRSXZEOS-LBPRGKRZSA-N
MW345.35 g/mol
LogP3.10
Rot. Bonds6

About 5-[[4-methyl-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]furan-2-carboxylic acid

5-[[4-methyl-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]furan-2-carboxylic acid (PubChem CID 129466833) has the molecular formula C18H19NO6 and a molecular weight of 345.35 g/mol. Its IUPAC name is 5-[[4-methyl-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[4-methyl-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]furan-2-carboxylic acid
PubChem CID129466833
Molecular FormulaC18H19NO6
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name5-[[4-methyl-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]furan-2-carboxylic acid
SMILESCc1ccc(NC(=O)c2ccc(C(=O)O)o2)c(OC[C@@H]2CCCO2)c1
InChIInChI=1S/C18H19NO6/c1-11-4-5-13(16(9-11)24-10-12-3-2-8-23-12)19-17(20)14-6-7-15(25-14)18(21)22/h4-7,9,12H,2-3,8,10H2,1H3,(H,19,20)(H,21,22)/t12-/m0/s1
InChIKeyYZJXJAQRSXZEOS-LBPRGKRZSA-N
XLogP3.10
TPSA98.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[4-methyl-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]furan-2-carboxylic acid with MolForge

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Related Compounds

N-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-5-nitrofuran-2-carboxamide
CID 94646470
2-ethyl-5-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]furan-3-carboxylic acid
CID 120821321
4-(aminomethyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 119300251
4-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119182039
6-methyl-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]pyridine-3-carboxamide
CID 60574803
N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide
CID 166192418
3-methyl-N-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]butanamide
CID 94621924
1-methyl-3-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95259007
7-amino-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]heptanamide
CID 119743232
3-methyl-1-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077719
4-amino-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-3-nitrobenzamide
CID 60574876
4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200

Frequently Asked Questions

What is the IUPAC name of 5-[[4-methyl-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[4-methyl-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]furan-2-carboxylic acid (CID 129466833) is 5-[[4-methyl-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[4-methyl-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[4-methyl-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]furan-2-carboxylic acid is Cc1ccc(NC(=O)c2ccc(C(=O)O)o2)c(OC[C@@H]2CCCO2)c1.
What is the InChIKey of 5-[[4-methyl-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]furan-2-carboxylic acid?
The InChIKey is YZJXJAQRSXZEOS-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19NO6/c1-11-4-5-13(16(9-11)24-10-12-3-2-8-23-12)19-17(20)14-6-7-15(25-14)18(21)22/h4-7,9,12H,2-3,8,10H2,1H3,(H,19,20)(H,21,22)/t12-/m0/s1.
What are the key properties of 5-[[4-methyl-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]furan-2-carboxylic acid?
5-[[4-methyl-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]furan-2-carboxylic acid has a molecular weight of 345.35 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-methyl-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 129466833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).