1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]urea

C15H17N7O2S — CID 7423839

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]urea
SMILESCc1cc(NC(=O)NCCCSc2nnnn2-c2ccccc2)no1
InChIInChI=1S/C15H17N7O2S/c1-11-10-13(19-24-11)17-14(23)16-8-5-9-25-15-18-20-21-22(15)12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H2,16,17,19,23)
InChIKeyGCMWIKKMHWMMMR-UHFFFAOYSA-N
MW359.42 g/mol
LogP2.26
Rot. Bonds7

About 1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]urea

1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]urea (PubChem CID 7423839) has the molecular formula C15H17N7O2S and a molecular weight of 359.42 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]urea.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]urea
PubChem CID7423839
Molecular FormulaC15H17N7O2S
Molecular Weight359.42 g/mol
Exact Mass359.12
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]urea
SMILESCc1cc(NC(=O)NCCCSc2nnnn2-c2ccccc2)no1
InChIInChI=1S/C15H17N7O2S/c1-11-10-13(19-24-11)17-14(23)16-8-5-9-25-15-18-20-21-22(15)12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H2,16,17,19,23)
InChIKeyGCMWIKKMHWMMMR-UHFFFAOYSA-N
XLogP2.26
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]urea?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]urea (CID 7423839) is 1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]urea.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]urea?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]urea is Cc1cc(NC(=O)NCCCSc2nnnn2-c2ccccc2)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]urea?
The InChIKey is GCMWIKKMHWMMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O2S/c1-11-10-13(19-24-11)17-14(23)16-8-5-9-25-15-18-20-21-22(15)12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H2,16,17,19,23).
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]urea?
1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]urea has a molecular weight of 359.42 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]urea is sourced from PubChem (CID 7423839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).