naphthalen-2-yl N-(1,2-benzoxazol-3-yl)carbamate

C18H12N2O3 — CID 67410130

IUPACnaphthalen-2-yl N-(1,2-benzoxazol-3-yl)carbamate
SMILESO=C(Nc1noc2ccccc12)Oc1ccc2ccccc2c1
InChIInChI=1S/C18H12N2O3/c21-18(19-17-15-7-3-4-8-16(15)23-20-17)22-14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,(H,19,20,21)
InChIKeyYNEOAIUUODEFPP-UHFFFAOYSA-N
MW304.31 g/mol
LogP4.59
Rot. Bonds2

About naphthalen-2-yl N-(1,2-benzoxazol-3-yl)carbamate

naphthalen-2-yl N-(1,2-benzoxazol-3-yl)carbamate (PubChem CID 67410130) has the molecular formula C18H12N2O3 and a molecular weight of 304.31 g/mol. Its IUPAC name is naphthalen-2-yl N-(1,2-benzoxazol-3-yl)carbamate.

Molecular Properties

Compound Namenaphthalen-2-yl N-(1,2-benzoxazol-3-yl)carbamate
PubChem CID67410130
Molecular FormulaC18H12N2O3
Molecular Weight304.31 g/mol
Exact Mass304.08
IUPAC Namenaphthalen-2-yl N-(1,2-benzoxazol-3-yl)carbamate
SMILESO=C(Nc1noc2ccccc12)Oc1ccc2ccccc2c1
InChIInChI=1S/C18H12N2O3/c21-18(19-17-15-7-3-4-8-16(15)23-20-17)22-14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,(H,19,20,21)
InChIKeyYNEOAIUUODEFPP-UHFFFAOYSA-N
XLogP4.59
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzothiophen-3-yl N-(1,2-benzoxazol-3-yl)carbamate
CID 67407286
N-(1,2-benzoxazol-3-yl)thiophene-2-carboxamide
CID 11989434
1-(1,2-benzoxazol-3-yl)-3-(4-ethoxyphenyl)sulfanylurea
CID 87436055
N-(1,2-benzoxazol-3-yl)-2,3-difluorobenzamide
CID 11988661
ethyl N-(6-phenylmethoxy-1,2-benzoxazol-3-yl)carbamate
CID 15338609
N-(1,2-benzoxazol-3-yl)piperazine-1-carboxamide
CID 68724237
naphthalen-2-yl N-(phenylcarbamothioyl)carbamate
CID 21430704
2-(1,2-benzoxazol-3-ylamino)propanoic acid
CID 69119449
naphthalen-2-yl N-prop-2-enylcarbamate
CID 71396312
3-(naphthalen-2-yloxycarbonylamino)propanoic acid
CID 82300933
1-(1,2-benzoxazol-3-yl)-3-[4-(trifluoromethyl)phenyl]sulfanylurea
CID 87435948
2,2,2-trichloroethyl N-(1,2-benzoxazol-3-ylamino)carbamate
CID 174624892

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl N-(1,2-benzoxazol-3-yl)carbamate?
The IUPAC name of naphthalen-2-yl N-(1,2-benzoxazol-3-yl)carbamate (CID 67410130) is naphthalen-2-yl N-(1,2-benzoxazol-3-yl)carbamate.
What is the SMILES notation for naphthalen-2-yl N-(1,2-benzoxazol-3-yl)carbamate?
The canonical SMILES for naphthalen-2-yl N-(1,2-benzoxazol-3-yl)carbamate is O=C(Nc1noc2ccccc12)Oc1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-yl N-(1,2-benzoxazol-3-yl)carbamate?
The InChIKey is YNEOAIUUODEFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O3/c21-18(19-17-15-7-3-4-8-16(15)23-20-17)22-14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,(H,19,20,21).
What are the key properties of naphthalen-2-yl N-(1,2-benzoxazol-3-yl)carbamate?
naphthalen-2-yl N-(1,2-benzoxazol-3-yl)carbamate has a molecular weight of 304.31 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl N-(1,2-benzoxazol-3-yl)carbamate is sourced from PubChem (CID 67410130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).