N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-hydroxy-1,3-benzodioxole-5-carboxamide

C16H18N2O5 — CID 99626562

IUPACN-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-hydroxy-1,3-benzodioxole-5-carboxamide
SMILESCC[C@@H](NC(=O)c1cc2c(cc1O)OCO2)c1c(C)noc1C
InChIInChI=1S/C16H18N2O5/c1-4-11(15-8(2)18-23-9(15)3)17-16(20)10-5-13-14(6-12(10)19)22-7-21-13/h5-6,11,19H,4,7H2,1-3H3,(H,17,20)/t11-/m1/s1
InChIKeyLCRZBLVYNYZKEW-LLVKDONJSA-N
MW318.33 g/mol
LogP2.61
Rot. Bonds4

About N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-hydroxy-1,3-benzodioxole-5-carboxamide

N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-hydroxy-1,3-benzodioxole-5-carboxamide (PubChem CID 99626562) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-hydroxy-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-hydroxy-1,3-benzodioxole-5-carboxamide
PubChem CID99626562
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC NameN-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-hydroxy-1,3-benzodioxole-5-carboxamide
SMILESCC[C@@H](NC(=O)c1cc2c(cc1O)OCO2)c1c(C)noc1C
InChIInChI=1S/C16H18N2O5/c1-4-11(15-8(2)18-23-9(15)3)17-16(20)10-5-13-14(6-12(10)19)22-7-21-13/h5-6,11,19H,4,7H2,1-3H3,(H,17,20)/t11-/m1/s1
InChIKeyLCRZBLVYNYZKEW-LLVKDONJSA-N
XLogP2.61
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-hydroxy-1,3-benzodioxole-5-carboxamide with MolForge

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Related Compounds

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide
CID 138034889
1-cyclopropyl-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methyl-4-oxopyridine-3-carboxamide
CID 164632326
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridine-4-carboxamide
CID 122158392
2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-2-oxoethyl]benzoic acid
CID 120699128
N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 99633921
2-[4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylcarbamoyl]-2-ethoxyphenoxy]acetic acid
CID 120699130
6-hydroxy-N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 47265796
N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methoxy-4-methyl-5-nitrobenzamide
CID 99829047
1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea
CID 97244962
2-[(1S)-1-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]propyl]phenol
CID 99703169
2-[1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]propyl]phenol
CID 102561803
N-(6-acetyl-1,3-benzodioxol-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 8832095

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-hydroxy-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-hydroxy-1,3-benzodioxole-5-carboxamide (CID 99626562) is N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-hydroxy-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-hydroxy-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-hydroxy-1,3-benzodioxole-5-carboxamide is CC[C@@H](NC(=O)c1cc2c(cc1O)OCO2)c1c(C)noc1C.
What is the InChIKey of N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-hydroxy-1,3-benzodioxole-5-carboxamide?
The InChIKey is LCRZBLVYNYZKEW-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-4-11(15-8(2)18-23-9(15)3)17-16(20)10-5-13-14(6-12(10)19)22-7-21-13/h5-6,11,19H,4,7H2,1-3H3,(H,17,20)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-hydroxy-1,3-benzodioxole-5-carboxamide?
N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-hydroxy-1,3-benzodioxole-5-carboxamide has a molecular weight of 318.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-hydroxy-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 99626562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).