2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-3-carboxamide

C11H11ClN2O3 — CID 106686991

IUPAC2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-3-carboxamide
SMILESCc1noc(C)c1CNC(=O)c1ccoc1Cl
InChIInChI=1S/C11H11ClN2O3/c1-6-9(7(2)17-14-6)5-13-11(15)8-3-4-16-10(8)12/h3-4H,5H2,1-2H3,(H,13,15)
InChIKeyYQFAVIJPKPQQSI-UHFFFAOYSA-N
MW254.67 g/mol
LogP2.47
Rot. Bonds3

About 2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-3-carboxamide

2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-3-carboxamide (PubChem CID 106686991) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-3-carboxamide
PubChem CID106686991
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-3-carboxamide
SMILESCc1noc(C)c1CNC(=O)c1ccoc1Cl
InChIInChI=1S/C11H11ClN2O3/c1-6-9(7(2)17-14-6)5-13-11(15)8-3-4-16-10(8)12/h3-4H,5H2,1-2H3,(H,13,15)
InChIKeyYQFAVIJPKPQQSI-UHFFFAOYSA-N
XLogP2.47
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-sulfanylbenzamide
CID 107032011
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 47935324
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroxybenzamide
CID 114344508
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide
CID 103865338
5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxamide
CID 91888242
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4-trifluorobenzamide
CID 110730995
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-fluorobenzamide
CID 47861608
5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethylsulfanylbenzamide
CID 71974519
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoro-2-methylbenzamide
CID 112702398
3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-nitrobenzamide
CID 79831298
5-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylbenzamide
CID 102705730
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(methylamino)pyridine-4-carboxamide
CID 105070606

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-3-carboxamide?
The IUPAC name of 2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-3-carboxamide (CID 106686991) is 2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-3-carboxamide is Cc1noc(C)c1CNC(=O)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-3-carboxamide?
The InChIKey is YQFAVIJPKPQQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-6-9(7(2)17-14-6)5-13-11(15)8-3-4-16-10(8)12/h3-4H,5H2,1-2H3,(H,13,15).
What are the key properties of 2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-3-carboxamide?
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-3-carboxamide has a molecular weight of 254.67 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-3-carboxamide is sourced from PubChem (CID 106686991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).