1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea

C16H23N5O3 — CID 71984815

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
SMILESCc1noc(C)c1CN(C)C(=O)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C16H23N5O3/c1-11-15(12(2)24-19-11)10-20(3)16(22)18-13-7-17-21(8-13)9-14-5-4-6-23-14/h7-8,14H,4-6,9-10H2,1-3H3,(H,18,22)
InChIKeyYAEPBILQACOQCK-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.33
Rot. Bonds5

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea (PubChem CID 71984815) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
PubChem CID71984815
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
SMILESCc1noc(C)c1CN(C)C(=O)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C16H23N5O3/c1-11-15(12(2)24-19-11)10-20(3)16(22)18-13-7-17-21(8-13)9-14-5-4-6-23-14/h7-8,14H,4-6,9-10H2,1-3H3,(H,18,22)
InChIKeyYAEPBILQACOQCK-UHFFFAOYSA-N
XLogP2.33
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea (CID 71984815) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea is Cc1noc(C)c1CN(C)C(=O)Nc1cnn(CC2CCCO2)c1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea?
The InChIKey is YAEPBILQACOQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-11-15(12(2)24-19-11)10-20(3)16(22)18-13-7-17-21(8-13)9-14-5-4-6-23-14/h7-8,14H,4-6,9-10H2,1-3H3,(H,18,22).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea has a molecular weight of 333.39 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea is sourced from PubChem (CID 71984815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).