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

C16H10N2O3S — CID 67407286

IUPAC1-benzothiophen-3-yl N-(1,2-benzoxazol-3-yl)carbamate
SMILESO=C(Nc1noc2ccccc12)Oc1csc2ccccc12
InChIInChI=1S/C16H10N2O3S/c19-16(17-15-11-6-1-3-7-12(11)21-18-15)20-13-9-22-14-8-4-2-5-10(13)14/h1-9H,(H,17,18,19)
InChIKeyJYJXSSUUGGWPRH-UHFFFAOYSA-N
MW310.33 g/mol
LogP4.65
Rot. Bonds2

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

1-benzothiophen-3-yl N-(1,2-benzoxazol-3-yl)carbamate (PubChem CID 67407286) has the molecular formula C16H10N2O3S and a molecular weight of 310.33 g/mol. Its IUPAC name is 1-benzothiophen-3-yl N-(1,2-benzoxazol-3-yl)carbamate.

Molecular Properties

Compound Name1-benzothiophen-3-yl N-(1,2-benzoxazol-3-yl)carbamate
PubChem CID67407286
Molecular FormulaC16H10N2O3S
Molecular Weight310.33 g/mol
Exact Mass310.04
IUPAC Name1-benzothiophen-3-yl N-(1,2-benzoxazol-3-yl)carbamate
SMILESO=C(Nc1noc2ccccc12)Oc1csc2ccccc12
InChIInChI=1S/C16H10N2O3S/c19-16(17-15-11-6-1-3-7-12(11)21-18-15)20-13-9-22-14-8-4-2-5-10(13)14/h1-9H,(H,17,18,19)
InChIKeyJYJXSSUUGGWPRH-UHFFFAOYSA-N
XLogP4.65
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

naphthalen-2-yl N-(1,2-benzoxazol-3-yl)carbamate
CID 67410130
1-benzothiophen-3-yl hydrogen carbonate
CID 69337463
N-(1,2-benzoxazol-3-yl)thiophene-2-carboxamide
CID 11989434
N-(1,2-benzoxazol-3-yl)-2,3-difluorobenzamide
CID 11988661
N-(1-benzothiophen-3-yl)-3-fluoropiperidine-1-sulfonamide;N-(1,2-benzoxazol-3-yl)-3-fluoropiperidine-1-sulfonamide
CID 71240631
N-(1,2-benzoxazol-3-yl)piperazine-1-carboxamide
CID 68724237
2-(1,2-benzoxazol-3-ylamino)propanoic acid
CID 69119449
1-(1,2-benzoxazol-3-yl)-3-[4-(trifluoromethyl)phenyl]sulfanylurea
CID 87435948
N-(1,2-benzoxazol-3-yl)-3-fluoro-4-(trifluoromethyl)benzamide
CID 11990244
2,2,2-trichloroethyl N-(1,2-benzoxazol-3-ylamino)carbamate
CID 174624892
1-(1,2-benzoxazol-3-yl)-3-(2-methylphenyl)sulfanylurea
CID 87435497
1-(1,2-benzoxazol-3-yl)-3-propan-2-ylthiourea
CID 15983877

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl N-(1,2-benzoxazol-3-yl)carbamate?
The IUPAC name of 1-benzothiophen-3-yl N-(1,2-benzoxazol-3-yl)carbamate (CID 67407286) is 1-benzothiophen-3-yl N-(1,2-benzoxazol-3-yl)carbamate.
What is the SMILES notation for 1-benzothiophen-3-yl N-(1,2-benzoxazol-3-yl)carbamate?
The canonical SMILES for 1-benzothiophen-3-yl N-(1,2-benzoxazol-3-yl)carbamate is O=C(Nc1noc2ccccc12)Oc1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl N-(1,2-benzoxazol-3-yl)carbamate?
The InChIKey is JYJXSSUUGGWPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O3S/c19-16(17-15-11-6-1-3-7-12(11)21-18-15)20-13-9-22-14-8-4-2-5-10(13)14/h1-9H,(H,17,18,19).
What are the key properties of 1-benzothiophen-3-yl N-(1,2-benzoxazol-3-yl)carbamate?
1-benzothiophen-3-yl N-(1,2-benzoxazol-3-yl)carbamate has a molecular weight of 310.33 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl N-(1,2-benzoxazol-3-yl)carbamate is sourced from PubChem (CID 67407286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).