5-[2-(oxolan-2-ylmethoxy)propanoylamino]-1,3-benzoxazole-2-carboxamide

C16H19N3O5 — CID 126834368

IUPAC5-[2-(oxolan-2-ylmethoxy)propanoylamino]-1,3-benzoxazole-2-carboxamide
SMILESCC(OCC1CCCO1)C(=O)Nc1ccc2oc(C(N)=O)nc2c1
InChIInChI=1S/C16H19N3O5/c1-9(23-8-11-3-2-6-22-11)15(21)18-10-4-5-13-12(7-10)19-16(24-13)14(17)20/h4-5,7,9,11H,2-3,6,8H2,1H3,(H2,17,20)(H,18,21)
InChIKeyHRCVXWXEDHVVFJ-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.45
Rot. Bonds6

About 5-[2-(oxolan-2-ylmethoxy)propanoylamino]-1,3-benzoxazole-2-carboxamide

5-[2-(oxolan-2-ylmethoxy)propanoylamino]-1,3-benzoxazole-2-carboxamide (PubChem CID 126834368) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 5-[2-(oxolan-2-ylmethoxy)propanoylamino]-1,3-benzoxazole-2-carboxamide.

Molecular Properties

Compound Name5-[2-(oxolan-2-ylmethoxy)propanoylamino]-1,3-benzoxazole-2-carboxamide
PubChem CID126834368
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name5-[2-(oxolan-2-ylmethoxy)propanoylamino]-1,3-benzoxazole-2-carboxamide
SMILESCC(OCC1CCCO1)C(=O)Nc1ccc2oc(C(N)=O)nc2c1
InChIInChI=1S/C16H19N3O5/c1-9(23-8-11-3-2-6-22-11)15(21)18-10-4-5-13-12(7-10)19-16(24-13)14(17)20/h4-5,7,9,11H,2-3,6,8H2,1H3,(H2,17,20)(H,18,21)
InChIKeyHRCVXWXEDHVVFJ-UHFFFAOYSA-N
XLogP1.45
TPSA116.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 43097898
4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
CID 97233672
N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48845435
N-methyl-4-[[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzamide
CID 95247449
N-(1-ethylindol-5-yl)-2-(oxolan-2-ylmethoxy)propanamide
CID 49493559
3-[2-(oxan-2-ylmethoxy)propanoylamino]benzoic acid
CID 119219567
N-(3-chloro-4-piperidin-1-ylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48861457
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 120566641
(2R)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 94795987
N-[3-(tert-butylsulfamoyl)phenyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 48849651
(2R)-N-(3-chloro-4-imidazol-1-ylphenyl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95282583
N-[1-(2-methoxyethyl)indol-6-yl]-2-(oxolan-2-ylmethoxy)propanamide
CID 75440615

Frequently Asked Questions

What is the IUPAC name of 5-[2-(oxolan-2-ylmethoxy)propanoylamino]-1,3-benzoxazole-2-carboxamide?
The IUPAC name of 5-[2-(oxolan-2-ylmethoxy)propanoylamino]-1,3-benzoxazole-2-carboxamide (CID 126834368) is 5-[2-(oxolan-2-ylmethoxy)propanoylamino]-1,3-benzoxazole-2-carboxamide.
What is the SMILES notation for 5-[2-(oxolan-2-ylmethoxy)propanoylamino]-1,3-benzoxazole-2-carboxamide?
The canonical SMILES for 5-[2-(oxolan-2-ylmethoxy)propanoylamino]-1,3-benzoxazole-2-carboxamide is CC(OCC1CCCO1)C(=O)Nc1ccc2oc(C(N)=O)nc2c1.
What is the InChIKey of 5-[2-(oxolan-2-ylmethoxy)propanoylamino]-1,3-benzoxazole-2-carboxamide?
The InChIKey is HRCVXWXEDHVVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-9(23-8-11-3-2-6-22-11)15(21)18-10-4-5-13-12(7-10)19-16(24-13)14(17)20/h4-5,7,9,11H,2-3,6,8H2,1H3,(H2,17,20)(H,18,21).
What are the key properties of 5-[2-(oxolan-2-ylmethoxy)propanoylamino]-1,3-benzoxazole-2-carboxamide?
5-[2-(oxolan-2-ylmethoxy)propanoylamino]-1,3-benzoxazole-2-carboxamide has a molecular weight of 333.34 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(oxolan-2-ylmethoxy)propanoylamino]-1,3-benzoxazole-2-carboxamide is sourced from PubChem (CID 126834368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).