5-[(1-benzyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole

C19H17N5O2S — CID 24585122

IUPAC5-[(1-benzyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole
SMILESCOc1ccccc1-c1cc(CSc2nnnn2Cc2ccccc2)on1
InChIInChI=1S/C19H17N5O2S/c1-25-18-10-6-5-9-16(18)17-11-15(26-21-17)13-27-19-20-22-23-24(19)12-14-7-3-2-4-8-14/h2-11H,12-13H2,1H3
InChIKeyMRKWPRQJRFKCIA-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.68
Rot. Bonds7

About 5-[(1-benzyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole

5-[(1-benzyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole (PubChem CID 24585122) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is 5-[(1-benzyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-[(1-benzyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole
PubChem CID24585122
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Name5-[(1-benzyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole
SMILESCOc1ccccc1-c1cc(CSc2nnnn2Cc2ccccc2)on1
InChIInChI=1S/C19H17N5O2S/c1-25-18-10-6-5-9-16(18)17-11-15(26-21-17)13-27-19-20-22-23-24(19)12-14-7-3-2-4-8-14/h2-11H,12-13H2,1H3
InChIKeyMRKWPRQJRFKCIA-UHFFFAOYSA-N
XLogP3.68
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole
CID 24585126
3-(2-methoxyphenyl)-5-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole
CID 17450078
5-[(2-bromophenyl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole
CID 24585123
3-(4-methoxyphenyl)-5-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole
CID 17418386
3-(2-methoxyphenyl)-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole
CID 17395571
5-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole
CID 24671058
3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-amine
CID 24585002
2-(2-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 51259859
4-[5-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]morpholine
CID 24585059
2-(1-benzyltetrazol-5-yl)sulfanyl-1-(2,4-dimethoxyphenyl)ethanone
CID 18099111
2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one
CID 16581302
3-(4-methoxyphenyl)-5-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole
CID 16612185

Frequently Asked Questions

What is the IUPAC name of 5-[(1-benzyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole?
The IUPAC name of 5-[(1-benzyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole (CID 24585122) is 5-[(1-benzyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 5-[(1-benzyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole?
The canonical SMILES for 5-[(1-benzyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole is COc1ccccc1-c1cc(CSc2nnnn2Cc2ccccc2)on1.
What is the InChIKey of 5-[(1-benzyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole?
The InChIKey is MRKWPRQJRFKCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-25-18-10-6-5-9-16(18)17-11-15(26-21-17)13-27-19-20-22-23-24(19)12-14-7-3-2-4-8-14/h2-11H,12-13H2,1H3.
What are the key properties of 5-[(1-benzyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole?
5-[(1-benzyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole has a molecular weight of 379.45 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-benzyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 24585122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).