1-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3-(2-propan-2-yltetrazol-5-yl)urea

C16H22N6O2 — CID 136585949

IUPAC1-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3-(2-propan-2-yltetrazol-5-yl)urea
SMILESCC(C)n1nnc(NC(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)n1
InChIInChI=1S/C16H22N6O2/c1-11(2)22-20-15(19-21-22)18-16(23)17-10-13-8-9-24-14(13)12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3,(H2,17,18,20,23)/t13-,14-/m0/s1
InChIKeyPHXSQYPPNDGEBW-KBPBESRZSA-N
MW330.39 g/mol
LogP2.15
Rot. Bonds5

About 1-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3-(2-propan-2-yltetrazol-5-yl)urea

1-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3-(2-propan-2-yltetrazol-5-yl)urea (PubChem CID 136585949) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3-(2-propan-2-yltetrazol-5-yl)urea.

Molecular Properties

Compound Name1-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3-(2-propan-2-yltetrazol-5-yl)urea
PubChem CID136585949
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name1-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3-(2-propan-2-yltetrazol-5-yl)urea
SMILESCC(C)n1nnc(NC(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)n1
InChIInChI=1S/C16H22N6O2/c1-11(2)22-20-15(19-21-22)18-16(23)17-10-13-8-9-24-14(13)12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3,(H2,17,18,20,23)/t13-,14-/m0/s1
InChIKeyPHXSQYPPNDGEBW-KBPBESRZSA-N
XLogP2.15
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3-(2-propan-2-yltetrazol-5-yl)urea?
The IUPAC name of 1-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3-(2-propan-2-yltetrazol-5-yl)urea (CID 136585949) is 1-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3-(2-propan-2-yltetrazol-5-yl)urea.
What is the SMILES notation for 1-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3-(2-propan-2-yltetrazol-5-yl)urea?
The canonical SMILES for 1-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3-(2-propan-2-yltetrazol-5-yl)urea is CC(C)n1nnc(NC(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)n1.
What is the InChIKey of 1-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3-(2-propan-2-yltetrazol-5-yl)urea?
The InChIKey is PHXSQYPPNDGEBW-KBPBESRZSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-11(2)22-20-15(19-21-22)18-16(23)17-10-13-8-9-24-14(13)12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3,(H2,17,18,20,23)/t13-,14-/m0/s1.
What are the key properties of 1-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3-(2-propan-2-yltetrazol-5-yl)urea?
1-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3-(2-propan-2-yltetrazol-5-yl)urea has a molecular weight of 330.39 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3-(2-propan-2-yltetrazol-5-yl)urea is sourced from PubChem (CID 136585949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).