(4R,5R)-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide

C14H18N2O4 — CID 101366987

IUPAC(4R,5R)-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESCNC(=O)[C@@H]1N=C(C)O[C@@H]1c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H18N2O4/c1-8-16-12(14(17)15-2)13(20-8)9-5-6-10(18-3)11(7-9)19-4/h5-7,12-13H,1-4H3,(H,15,17)/t12-,13-/m1/s1
InChIKeyVBPOJXLSJGRJAC-CHWSQXEVSA-N
MW278.31 g/mol
LogP1.31
Rot. Bonds4

About (4R,5R)-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide

(4R,5R)-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide (PubChem CID 101366987) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (4R,5R)-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name(4R,5R)-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide
PubChem CID101366987
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(4R,5R)-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESCNC(=O)[C@@H]1N=C(C)O[C@@H]1c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H18N2O4/c1-8-16-12(14(17)15-2)13(20-8)9-5-6-10(18-3)11(7-9)19-4/h5-7,12-13H,1-4H3,(H,15,17)/t12-,13-/m1/s1
InChIKeyVBPOJXLSJGRJAC-CHWSQXEVSA-N
XLogP1.31
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R,5R)-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

methyl (2R,3S)-3-(3,4-dimethoxyphenyl)oxirane-2-carboxylate
CID 15262478
ethyl 5-(4-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 139762859
(1R,3R,3aS,4R,6S,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3,6-diol
CID 11973047
methyl (3S,4R,5R)-5-(3,4-dimethoxyphenyl)-4-methyl-2-oxooxolane-3-carboxylate
CID 10637526
(4R,5R)-4-acetyl-5-(3,4-dimethoxyphenyl)oxolan-2-one
CID 71428897
N-cyclopentyl-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide
CID 4642297
[4-[(1R,3aR,4S,6aS)-4-(4-acetyloxy-3-methoxyphenyl)-3,6-dioxo-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenyl] acetate
CID 9498525
[4-[4-(4-acetyloxy-3-methoxyphenyl)-3,6-dioxo-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenyl] acetate
CID 5064558
methyl 2-[(2R,3S)-2-(3,4-dimethoxyphenyl)-5,5-dimethyl-4,6-dioxooxan-3-yl]acetate
CID 7347240
(3S,4S,5R)-5-(3,4-dimethoxyphenyl)-3,4-bis(hydroxymethyl)oxolan-2-one
CID 163092093
3,4-dimethoxy-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 45101397
2-(3,4-dimethoxyphenyl)-5-oxo-N-(2-phenylethyl)oxolane-3-carboxamide
CID 6618904

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide?
The IUPAC name of (4R,5R)-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide (CID 101366987) is (4R,5R)-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide.
What is the SMILES notation for (4R,5R)-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide?
The canonical SMILES for (4R,5R)-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide is CNC(=O)[C@@H]1N=C(C)O[C@@H]1c1ccc(OC)c(OC)c1.
What is the InChIKey of (4R,5R)-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide?
The InChIKey is VBPOJXLSJGRJAC-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8-16-12(14(17)15-2)13(20-8)9-5-6-10(18-3)11(7-9)19-4/h5-7,12-13H,1-4H3,(H,15,17)/t12-,13-/m1/s1.
What are the key properties of (4R,5R)-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide?
(4R,5R)-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 101366987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).