benzyl N-(1,3-benzoxazol-6-yl)carbamate

C15H12N2O3 — CID 110728886

IUPACbenzyl N-(1,3-benzoxazol-6-yl)carbamate
SMILESO=C(Nc1ccc2ncoc2c1)OCc1ccccc1
InChIInChI=1S/C15H12N2O3/c18-15(19-9-11-4-2-1-3-5-11)17-12-6-7-13-14(8-12)20-10-16-13/h1-8,10H,9H2,(H,17,18)
InChIKeyMOOSWILCHBCRDF-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.58
Rot. Bonds3

About benzyl N-(1,3-benzoxazol-6-yl)carbamate

benzyl N-(1,3-benzoxazol-6-yl)carbamate (PubChem CID 110728886) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is benzyl N-(1,3-benzoxazol-6-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1,3-benzoxazol-6-yl)carbamate
PubChem CID110728886
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Namebenzyl N-(1,3-benzoxazol-6-yl)carbamate
SMILESO=C(Nc1ccc2ncoc2c1)OCc1ccccc1
InChIInChI=1S/C15H12N2O3/c18-15(19-9-11-4-2-1-3-5-11)17-12-6-7-13-14(8-12)20-10-16-13/h1-8,10H,9H2,(H,17,18)
InChIKeyMOOSWILCHBCRDF-UHFFFAOYSA-N
XLogP3.58
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-benzoxazol-6-ylcarbamic acid
CID 115170663
2-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]acetic acid
CID 125458336
N-(1,3-benzoxazol-5-yl)-2-phenylacetamide
CID 110728668
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
2-amino-4-(1,3-benzoxazol-6-ylamino)-4-oxobutanoic acid
CID 115180959
N-(1,3-benzoxazol-6-yl)-2-(2-methoxyphenoxy)acetamide
CID 110728880
N-(1,3-benzoxazol-6-yl)butanamide
CID 110728829
3-amino-N-(1,3-benzoxazol-6-yl)-3-methylbutanamide
CID 115154852
methyl 4-(1,3-benzoxazol-6-ylamino)-4-oxobutanoate
CID 110728836
benzyl N-(3-formyl-4-methylphenyl)carbamate
CID 123875597
N-(1,3-benzoxazol-6-yl)-2-(4-fluorophenyl)acetamide
CID 110728862
4-amino-N-(1,3-benzoxazol-6-yl)-2,2-dimethylbutanamide
CID 115156904

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1,3-benzoxazol-6-yl)carbamate?
The IUPAC name of benzyl N-(1,3-benzoxazol-6-yl)carbamate (CID 110728886) is benzyl N-(1,3-benzoxazol-6-yl)carbamate.
What is the SMILES notation for benzyl N-(1,3-benzoxazol-6-yl)carbamate?
The canonical SMILES for benzyl N-(1,3-benzoxazol-6-yl)carbamate is O=C(Nc1ccc2ncoc2c1)OCc1ccccc1.
What is the InChIKey of benzyl N-(1,3-benzoxazol-6-yl)carbamate?
The InChIKey is MOOSWILCHBCRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-15(19-9-11-4-2-1-3-5-11)17-12-6-7-13-14(8-12)20-10-16-13/h1-8,10H,9H2,(H,17,18).
What are the key properties of benzyl N-(1,3-benzoxazol-6-yl)carbamate?
benzyl N-(1,3-benzoxazol-6-yl)carbamate has a molecular weight of 268.27 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1,3-benzoxazol-6-yl)carbamate is sourced from PubChem (CID 110728886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).