3-(1,3-benzoxazol-6-yl)oxetane-3-carboxamide

C11H10N2O3 — CID 116876205

IUPAC3-(1,3-benzoxazol-6-yl)oxetane-3-carboxamide
SMILESNC(=O)C1(c2ccc3ncoc3c2)COC1
InChIInChI=1S/C11H10N2O3/c12-10(14)11(4-15-5-11)7-1-2-8-9(3-7)16-6-13-8/h1-3,6H,4-5H2,(H2,12,14)
InChIKeyPJHAAZXYBPVENN-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.58
Rot. Bonds2

About 3-(1,3-benzoxazol-6-yl)oxetane-3-carboxamide

3-(1,3-benzoxazol-6-yl)oxetane-3-carboxamide (PubChem CID 116876205) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-6-yl)oxetane-3-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzoxazol-6-yl)oxetane-3-carboxamide
PubChem CID116876205
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name3-(1,3-benzoxazol-6-yl)oxetane-3-carboxamide
SMILESNC(=O)C1(c2ccc3ncoc3c2)COC1
InChIInChI=1S/C11H10N2O3/c12-10(14)11(4-15-5-11)7-1-2-8-9(3-7)16-6-13-8/h1-3,6H,4-5H2,(H2,12,14)
InChIKeyPJHAAZXYBPVENN-UHFFFAOYSA-N
XLogP0.58
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-benzoxazole-6-carboxamide
CID 22245908
4-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]butanoic acid
CID 116871995
3-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]propan-1-amine
CID 116870084
1-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]-N-methylmethanamine
CID 116869292
6-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-benzoxazole
CID 116870823
6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole
CID 116870937
1-(1,3-benzoxazol-5-yl)cyclopropane-1-carboxylic acid
CID 59129317
2-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]-2-methylpropanenitrile
CID 116873662
3-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]propanenitrile
CID 116873395
3-[(1,3-benzoxazol-6-ylamino)methyl]oxetane-3-carboxylic acid
CID 115248308
1,3-benzoxazol-6-amine
CID 584120
(E)-3-(1,3-benzoxazol-6-yl)prop-2-enoic acid
CID 82490854

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-6-yl)oxetane-3-carboxamide?
The IUPAC name of 3-(1,3-benzoxazol-6-yl)oxetane-3-carboxamide (CID 116876205) is 3-(1,3-benzoxazol-6-yl)oxetane-3-carboxamide.
What is the SMILES notation for 3-(1,3-benzoxazol-6-yl)oxetane-3-carboxamide?
The canonical SMILES for 3-(1,3-benzoxazol-6-yl)oxetane-3-carboxamide is NC(=O)C1(c2ccc3ncoc3c2)COC1.
What is the InChIKey of 3-(1,3-benzoxazol-6-yl)oxetane-3-carboxamide?
The InChIKey is PJHAAZXYBPVENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c12-10(14)11(4-15-5-11)7-1-2-8-9(3-7)16-6-13-8/h1-3,6H,4-5H2,(H2,12,14).
What are the key properties of 3-(1,3-benzoxazol-6-yl)oxetane-3-carboxamide?
3-(1,3-benzoxazol-6-yl)oxetane-3-carboxamide has a molecular weight of 218.21 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-6-yl)oxetane-3-carboxamide is sourced from PubChem (CID 116876205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).