N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide

C14H18N2O4 — CID 97042843

IUPACN-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC[C@@H](O)c2cc(C)oc2C)no1
InChIInChI=1S/C14H18N2O4/c1-8-6-11(10(3)19-8)13(17)4-5-15-14(18)12-7-9(2)20-16-12/h6-7,13,17H,4-5H2,1-3H3,(H,15,18)/t13-/m1/s1
InChIKeyCMYDWNNGRNFVOC-CYBMUJFWSA-N
MW278.31 g/mol
LogP2.05
Rot. Bonds5

About N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 97042843) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID97042843
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC[C@@H](O)c2cc(C)oc2C)no1
InChIInChI=1S/C14H18N2O4/c1-8-6-11(10(3)19-8)13(17)4-5-15-14(18)12-7-9(2)20-16-12/h6-7,13,17H,4-5H2,1-3H3,(H,15,18)/t13-/m1/s1
InChIKeyCMYDWNNGRNFVOC-CYBMUJFWSA-N
XLogP2.05
TPSA88.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
CID 121133032
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4,6-trimethylbenzamide
CID 121133057
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-ethylbutanamide
CID 121133019
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-methylpropanamide
CID 121133010
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]propanamide
CID 121133006
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4-dimethylbenzamide
CID 121133041
2-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]benzamide
CID 121133050
N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-fluorobenzamide
CID 97042845
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]cyclobutanecarboxamide
CID 121133012
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-1,3-benzodioxole-5-carboxamide
CID 121133059
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4-dimethoxybenzamide
CID 121133086
N'-[(4-chlorophenyl)methyl]-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
CID 121133272

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 97042843) is N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCC[C@@H](O)c2cc(C)oc2C)no1.
What is the InChIKey of N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is CMYDWNNGRNFVOC-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8-6-11(10(3)19-8)13(17)4-5-15-14(18)12-7-9(2)20-16-12/h6-7,13,17H,4-5H2,1-3H3,(H,15,18)/t13-/m1/s1.
What are the key properties of N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 97042843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).