4-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole

C14H17N5OS2 — CID 18168214

IUPAC4-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
SMILESCc1oc(-c2cccs2)nc1CSc1nnnn1C(C)(C)C
InChIInChI=1S/C14H17N5OS2/c1-9-10(15-12(20-9)11-6-5-7-21-11)8-22-13-16-17-18-19(13)14(2,3)4/h5-7H,8H2,1-4H3
InChIKeyPVUKKTFGESTTAH-UHFFFAOYSA-N
MW335.46 g/mol
LogP3.75
Rot. Bonds4

About 4-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole

4-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole (PubChem CID 18168214) has the molecular formula C14H17N5OS2 and a molecular weight of 335.46 g/mol. Its IUPAC name is 4-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
PubChem CID18168214
Molecular FormulaC14H17N5OS2
Molecular Weight335.46 g/mol
Exact Mass335.09
IUPAC Name4-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
SMILESCc1oc(-c2cccs2)nc1CSc1nnnn1C(C)(C)C
InChIInChI=1S/C14H17N5OS2/c1-9-10(15-12(20-9)11-6-5-7-21-11)8-22-13-16-17-18-19(13)14(2,3)4/h5-7H,8H2,1-4H3
InChIKeyPVUKKTFGESTTAH-UHFFFAOYSA-N
XLogP3.75
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(3,4-dimethoxyphenyl)-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 18268005
4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 31903440
3-ethyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 35216898
3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]phenol
CID 104590545
4-(chloromethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 5076491
(2R)-2-amino-3-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butanoic acid
CID 106442416
4-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 24618690
3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propan-1-ol
CID 66128721
(2S,3S)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol
CID 96535838
4-(3-methoxypropyl)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 36776622
4-(2-bromoethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 23352157
2-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanoic acid
CID 64916269

Frequently Asked Questions

What is the IUPAC name of 4-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 4-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole (CID 18168214) is 4-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 4-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 4-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole is Cc1oc(-c2cccs2)nc1CSc1nnnn1C(C)(C)C.
What is the InChIKey of 4-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is PVUKKTFGESTTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS2/c1-9-10(15-12(20-9)11-6-5-7-21-11)8-22-13-16-17-18-19(13)14(2,3)4/h5-7H,8H2,1-4H3.
What are the key properties of 4-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole?
4-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 335.46 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 18168214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).