1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea

C15H17N7O2 — CID 95899561

IUPAC1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
SMILESCc1noc(C)c1[C@H](C)NC(=O)Nc1cnn(-c2ncccn2)c1
InChIInChI=1S/C15H17N7O2/c1-9(13-10(2)21-24-11(13)3)19-15(23)20-12-7-18-22(8-12)14-16-5-4-6-17-14/h4-9H,1-3H3,(H2,19,20,23)/t9-/m0/s1
InChIKeyRNGRBUXCXMYQAG-VIFPVBQESA-N
MW327.35 g/mol
LogP2.15
Rot. Bonds4

About 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea

1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea (PubChem CID 95899561) has the molecular formula C15H17N7O2 and a molecular weight of 327.35 g/mol. Its IUPAC name is 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
PubChem CID95899561
Molecular FormulaC15H17N7O2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
SMILESCc1noc(C)c1[C@H](C)NC(=O)Nc1cnn(-c2ncccn2)c1
InChIInChI=1S/C15H17N7O2/c1-9(13-10(2)21-24-11(13)3)19-15(23)20-12-7-18-22(8-12)14-16-5-4-6-17-14/h4-9H,1-3H3,(H2,19,20,23)/t9-/m0/s1
InChIKeyRNGRBUXCXMYQAG-VIFPVBQESA-N
XLogP2.15
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea?
The IUPAC name of 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea (CID 95899561) is 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea?
The canonical SMILES for 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea is Cc1noc(C)c1[C@H](C)NC(=O)Nc1cnn(-c2ncccn2)c1.
What is the InChIKey of 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea?
The InChIKey is RNGRBUXCXMYQAG-VIFPVBQESA-N. The full InChI is InChI=1S/C15H17N7O2/c1-9(13-10(2)21-24-11(13)3)19-15(23)20-12-7-18-22(8-12)14-16-5-4-6-17-14/h4-9H,1-3H3,(H2,19,20,23)/t9-/m0/s1.
What are the key properties of 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea?
1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea has a molecular weight of 327.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea is sourced from PubChem (CID 95899561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).