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

C18H21N5O2S — CID 24585126

IUPAC5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole
SMILESCOc1ccccc1-c1cc(CSc2nnnn2C2CCCCC2)on1
InChIInChI=1S/C18H21N5O2S/c1-24-17-10-6-5-9-15(17)16-11-14(25-20-16)12-26-18-19-21-22-23(18)13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8,12H2,1H3
InChIKeyNIEDHLMUIFAQLC-UHFFFAOYSA-N
MW371.47 g/mol
LogP4.13
Rot. Bonds6

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

5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole (PubChem CID 24585126) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is 5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole
PubChem CID24585126
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole
SMILESCOc1ccccc1-c1cc(CSc2nnnn2C2CCCCC2)on1
InChIInChI=1S/C18H21N5O2S/c1-24-17-10-6-5-9-15(17)16-11-14(25-20-16)12-26-18-19-21-22-23(18)13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8,12H2,1H3
InChIKeyNIEDHLMUIFAQLC-UHFFFAOYSA-N
XLogP4.13
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(1-benzyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole
CID 24585122
5-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole
CID 24671058
3-(2-methoxyphenyl)-5-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole
CID 17450078
3-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-4-methoxyaniline
CID 43247240
5-[(2-bromophenyl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole
CID 24585123
4-[5-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]morpholine
CID 24585059
3-(4-methoxyphenyl)-5-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole
CID 17418386
2-(2-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 51259859
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-methoxyphenyl)ethanone
CID 18098938
5-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid
CID 43620885
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
3-(2-methoxyphenyl)-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole
CID 17395571

Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole?
The IUPAC name of 5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole (CID 24585126) is 5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole?
The canonical SMILES for 5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole is COc1ccccc1-c1cc(CSc2nnnn2C2CCCCC2)on1.
What is the InChIKey of 5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole?
The InChIKey is NIEDHLMUIFAQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-24-17-10-6-5-9-15(17)16-11-14(25-20-16)12-26-18-19-21-22-23(18)13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8,12H2,1H3.
What are the key properties of 5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole?
5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole has a molecular weight of 371.47 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 24585126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).