phenyl N-[2-(1,3-benzoxazol-6-yl)ethyl]carbamate

C16H14N2O3 — CID 110790963

IUPACphenyl N-[2-(1,3-benzoxazol-6-yl)ethyl]carbamate
SMILESO=C(NCCc1ccc2ncoc2c1)Oc1ccccc1
InChIInChI=1S/C16H14N2O3/c19-16(21-13-4-2-1-3-5-13)17-9-8-12-6-7-14-15(10-12)20-11-18-14/h1-7,10-11H,8-9H2,(H,17,19)
InChIKeyTUJNNHIQMIOBGU-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.16
Rot. Bonds4

About phenyl N-[2-(1,3-benzoxazol-6-yl)ethyl]carbamate

phenyl N-[2-(1,3-benzoxazol-6-yl)ethyl]carbamate (PubChem CID 110790963) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is phenyl N-[2-(1,3-benzoxazol-6-yl)ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-(1,3-benzoxazol-6-yl)ethyl]carbamate
PubChem CID110790963
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Namephenyl N-[2-(1,3-benzoxazol-6-yl)ethyl]carbamate
SMILESO=C(NCCc1ccc2ncoc2c1)Oc1ccccc1
InChIInChI=1S/C16H14N2O3/c19-16(21-13-4-2-1-3-5-13)17-9-8-12-6-7-14-15(10-12)20-11-18-14/h1-7,10-11H,8-9H2,(H,17,19)
InChIKeyTUJNNHIQMIOBGU-UHFFFAOYSA-N
XLogP3.16
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 110790987
4-[2-(1,3-benzoxazol-6-yl)ethylamino]-4-oxobutanoic acid
CID 115163729
N-[2-(1,3-benzoxazol-6-yl)ethyl]pyridine-2-carboxamide
CID 110796039
1-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylurea
CID 115169389
phenyl N-(2-phenylethyl)carbamate
CID 12632743
methyl N-[2-(1,3-benzoxazol-5-yl)ethyl]carbamate
CID 110707385
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 110796037
N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylbutanamide
CID 110790910
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-chlorophenyl)acetamide
CID 110790940
N-[2-(1,3-benzoxazol-6-yl)ethyl]-4-chlorobenzamide
CID 110790949
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3-chlorophenyl)acetamide
CID 110790983
phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
CID 110755565

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-(1,3-benzoxazol-6-yl)ethyl]carbamate?
The IUPAC name of phenyl N-[2-(1,3-benzoxazol-6-yl)ethyl]carbamate (CID 110790963) is phenyl N-[2-(1,3-benzoxazol-6-yl)ethyl]carbamate.
What is the SMILES notation for phenyl N-[2-(1,3-benzoxazol-6-yl)ethyl]carbamate?
The canonical SMILES for phenyl N-[2-(1,3-benzoxazol-6-yl)ethyl]carbamate is O=C(NCCc1ccc2ncoc2c1)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-(1,3-benzoxazol-6-yl)ethyl]carbamate?
The InChIKey is TUJNNHIQMIOBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-16(21-13-4-2-1-3-5-13)17-9-8-12-6-7-14-15(10-12)20-11-18-14/h1-7,10-11H,8-9H2,(H,17,19).
What are the key properties of phenyl N-[2-(1,3-benzoxazol-6-yl)ethyl]carbamate?
phenyl N-[2-(1,3-benzoxazol-6-yl)ethyl]carbamate has a molecular weight of 282.30 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-(1,3-benzoxazol-6-yl)ethyl]carbamate is sourced from PubChem (CID 110790963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).