3-[2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-benzoxazol-2-one

C14H16N4O3S — CID 33272115

IUPAC3-[2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-benzoxazol-2-one
SMILESCOCCn1cnnc1SCCn1c(=O)oc2ccccc21
InChIInChI=1S/C14H16N4O3S/c1-20-8-6-17-10-15-16-13(17)22-9-7-18-11-4-2-3-5-12(11)21-14(18)19/h2-5,10H,6-9H2,1H3
InChIKeyOFAHNKCETCBMBY-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.62
Rot. Bonds7

About 3-[2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-benzoxazol-2-one

3-[2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-benzoxazol-2-one (PubChem CID 33272115) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is 3-[2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-benzoxazol-2-one
PubChem CID33272115
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name3-[2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-benzoxazol-2-one
SMILESCOCCn1cnnc1SCCn1c(=O)oc2ccccc21
InChIInChI=1S/C14H16N4O3S/c1-20-8-6-17-10-15-16-13(17)22-9-7-18-11-4-2-3-5-12(11)21-14(18)19/h2-5,10H,6-9H2,1H3
InChIKeyOFAHNKCETCBMBY-UHFFFAOYSA-N
XLogP1.62
TPSA75.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-benzoxazol-2-one with MolForge

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Related Compounds

3-[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylethyl]-1,3-benzoxazol-2-one
CID 33277715
3-[2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3-benzoxazol-2-one
CID 33277995
3-[2-(2-chlorophenoxy)ethylsulfanyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 78759792
3-[2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-benzoxazol-2-one
CID 78853922
3-[3-(2-methoxyethylamino)propyl]-1,3-benzoxazol-2-one
CID 62564028
2-(2-oxo-1,3-benzoxazol-3-yl)ethyl methanesulfonate
CID 19418949
3-[2-[[4-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-benzoxazol-2-one
CID 78853927
3-[2-(2-methoxyphenoxy)ethylsulfanyl]-4-(3-methoxypropyl)-1,2,4-triazole
CID 87018075
3-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylethyl]-1,3-benzoxazol-2-one
CID 33295585
N-[(2-chlorophenyl)methyl]-3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 134040164
3-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]-1,3-benzoxazol-2-one
CID 46484033
3-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-benzoxazol-2-one
CID 33276220

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-benzoxazol-2-one (CID 33272115) is 3-[2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-benzoxazol-2-one is COCCn1cnnc1SCCn1c(=O)oc2ccccc21.
What is the InChIKey of 3-[2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-benzoxazol-2-one?
The InChIKey is OFAHNKCETCBMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-20-8-6-17-10-15-16-13(17)22-9-7-18-11-4-2-3-5-12(11)21-14(18)19/h2-5,10H,6-9H2,1H3.
What are the key properties of 3-[2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-benzoxazol-2-one?
3-[2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-benzoxazol-2-one has a molecular weight of 320.37 g/mol, XLogP of 1.62, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 33272115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).