1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea

C16H23N5O3 — CID 128994464

IUPAC1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea
SMILESCc1cc(CNC(=O)N[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)on1
InChIInChI=1S/C16H23N5O3/c1-9-7-12(24-20-9)8-17-16(22)18-13-5-6-23-15(13)14-10(2)19-21(4)11(14)3/h7,13,15H,5-6,8H2,1-4H3,(H2,17,18,22)/t13-,15-/m0/s1
InChIKeyMQYQGZHLIXRPJU-ZFWWWQNUSA-N
MW333.39 g/mol
LogP1.66
Rot. Bonds4

About 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea

1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea (PubChem CID 128994464) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea.

Molecular Properties

Compound Name1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea
PubChem CID128994464
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea
SMILESCc1cc(CNC(=O)N[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)on1
InChIInChI=1S/C16H23N5O3/c1-9-7-12(24-20-9)8-17-16(22)18-13-5-6-23-15(13)14-10(2)19-21(4)11(14)3/h7,13,15H,5-6,8H2,1-4H3,(H2,17,18,22)/t13-,15-/m0/s1
InChIKeyMQYQGZHLIXRPJU-ZFWWWQNUSA-N
XLogP1.66
TPSA94.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea?
The IUPAC name of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea (CID 128994464) is 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea.
What is the SMILES notation for 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea?
The canonical SMILES for 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea is Cc1cc(CNC(=O)N[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)on1.
What is the InChIKey of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea?
The InChIKey is MQYQGZHLIXRPJU-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-9-7-12(24-20-9)8-17-16(22)18-13-5-6-23-15(13)14-10(2)19-21(4)11(14)3/h7,13,15H,5-6,8H2,1-4H3,(H2,17,18,22)/t13-,15-/m0/s1.
What are the key properties of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea?
1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea has a molecular weight of 333.39 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea is sourced from PubChem (CID 128994464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).