1,3-benzoxazol-6-ylcarbamic acid

C8H6N2O3 — CID 115170663

IUPAC1,3-benzoxazol-6-ylcarbamic acid
SMILESO=C(O)Nc1ccc2ncoc2c1
InChIInChI=1S/C8H6N2O3/c11-8(12)10-5-1-2-6-7(3-5)13-4-9-6/h1-4,10H,(H,11,12)
InChIKeyUPNWUUKFOGBMDZ-UHFFFAOYSA-N
MW178.15 g/mol
LogP1.92
Rot. Bonds1

About 1,3-benzoxazol-6-ylcarbamic acid

1,3-benzoxazol-6-ylcarbamic acid (PubChem CID 115170663) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is 1,3-benzoxazol-6-ylcarbamic acid.

Molecular Properties

Compound Name1,3-benzoxazol-6-ylcarbamic acid
PubChem CID115170663
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Name1,3-benzoxazol-6-ylcarbamic acid
SMILESO=C(O)Nc1ccc2ncoc2c1
InChIInChI=1S/C8H6N2O3/c11-8(12)10-5-1-2-6-7(3-5)13-4-9-6/h1-4,10H,(H,11,12)
InChIKeyUPNWUUKFOGBMDZ-UHFFFAOYSA-N
XLogP1.92
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzoxazol-6-yl)acetamide
CID 54228397
N-(1,3-benzoxazol-6-yl)-1-cyanoformamide
CID 115171898
N-(1,3-benzoxazol-6-yl)-4-(methylamino)benzamide
CID 115161080
N-(1,3-benzoxazol-6-yl)butanamide
CID 110728829
(E)-4-(1,3-benzoxazol-6-ylamino)-4-oxobut-2-enoate
CID 7015274
2-amino-4-(1,3-benzoxazol-6-ylamino)-4-oxobutanoic acid
CID 115180959
1-(1,3-benzoxazol-6-yl)-3-propylurea
CID 110748641
benzyl N-(1,3-benzoxazol-6-yl)carbamate
CID 110728886
3-amino-N-(1,3-benzoxazol-6-yl)-3-methylbutanamide
CID 115154852
N-(1,3-benzoxazol-6-yl)thiophene-2-carboxamide
CID 110728841
N-(1,3-benzoxazol-6-yl)-2-(4-fluorophenyl)acetamide
CID 110728862
N-(1,3-benzoxazol-6-yl)pyrazine-2-carboxamide
CID 110744615

Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazol-6-ylcarbamic acid?
The IUPAC name of 1,3-benzoxazol-6-ylcarbamic acid (CID 115170663) is 1,3-benzoxazol-6-ylcarbamic acid.
What is the SMILES notation for 1,3-benzoxazol-6-ylcarbamic acid?
The canonical SMILES for 1,3-benzoxazol-6-ylcarbamic acid is O=C(O)Nc1ccc2ncoc2c1.
What is the InChIKey of 1,3-benzoxazol-6-ylcarbamic acid?
The InChIKey is UPNWUUKFOGBMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3/c11-8(12)10-5-1-2-6-7(3-5)13-4-9-6/h1-4,10H,(H,11,12).
What are the key properties of 1,3-benzoxazol-6-ylcarbamic acid?
1,3-benzoxazol-6-ylcarbamic acid has a molecular weight of 178.15 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazol-6-ylcarbamic acid is sourced from PubChem (CID 115170663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).