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

C15H17N7O2 — CID 71984797

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
SMILESCc1noc(C)c1CN(C)C(=O)Nc1cnn(-c2ncccn2)c1
InChIInChI=1S/C15H17N7O2/c1-10-13(11(2)24-20-10)9-21(3)15(23)19-12-7-18-22(8-12)14-16-5-4-6-17-14/h4-8H,9H2,1-3H3,(H,19,23)
InChIKeyCYZPFNZGNSVCCO-UHFFFAOYSA-N
MW327.35 g/mol
LogP1.93
Rot. Bonds4

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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea (PubChem CID 71984797) has the molecular formula C15H17N7O2 and a molecular weight of 327.35 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
PubChem CID71984797
Molecular FormulaC15H17N7O2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
SMILESCc1noc(C)c1CN(C)C(=O)Nc1cnn(-c2ncccn2)c1
InChIInChI=1S/C15H17N7O2/c1-10-13(11(2)24-20-10)9-21(3)15(23)19-12-7-18-22(8-12)14-16-5-4-6-17-14/h4-8H,9H2,1-3H3,(H,19,23)
InChIKeyCYZPFNZGNSVCCO-UHFFFAOYSA-N
XLogP1.93
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,1-diethyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 71984790
1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 95899561
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluorophenyl)-1-methylurea
CID 47192595
3-(3-chlorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 47172079
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylurea
CID 118764961
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 86987980
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 51084495
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 75462199
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(1H-indol-4-yl)-1-methylurea
CID 56825839
3-(6-tert-butylpyridazin-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 99696852
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62231610
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
CID 71981692

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea (CID 71984797) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea is Cc1noc(C)c1CN(C)C(=O)Nc1cnn(-c2ncccn2)c1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea?
The InChIKey is CYZPFNZGNSVCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O2/c1-10-13(11(2)24-20-10)9-21(3)15(23)19-12-7-18-22(8-12)14-16-5-4-6-17-14/h4-8H,9H2,1-3H3,(H,19,23).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea has a molecular weight of 327.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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-pyrimidin-2-ylpyrazol-4-yl)urea is sourced from PubChem (CID 71984797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).