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

C16H19N5O2 — CID 72879689

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-methylindazol-5-yl)urea
SMILESCc1noc(C)c1CN(C)C(=O)Nc1ccc2c(cnn2C)c1
InChIInChI=1S/C16H19N5O2/c1-10-14(11(2)23-19-10)9-20(3)16(22)18-13-5-6-15-12(7-13)8-17-21(15)4/h5-8H,9H2,1-4H3,(H,18,22)
InChIKeyHWCAOSFDMSMWLO-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.84
Rot. Bonds3

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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-methylindazol-5-yl)urea (PubChem CID 72879689) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-methylindazol-5-yl)urea.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-methylindazol-5-yl)urea
PubChem CID72879689
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-methylindazol-5-yl)urea
SMILESCc1noc(C)c1CN(C)C(=O)Nc1ccc2c(cnn2C)c1
InChIInChI=1S/C16H19N5O2/c1-10-14(11(2)23-19-10)9-20(3)16(22)18-13-5-6-15-12(7-13)8-17-21(15)4/h5-8H,9H2,1-4H3,(H,18,22)
InChIKeyHWCAOSFDMSMWLO-UHFFFAOYSA-N
XLogP2.84
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-methylindazol-5-yl)urea?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-methylindazol-5-yl)urea (CID 72879689) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-methylindazol-5-yl)urea.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-methylindazol-5-yl)urea?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-methylindazol-5-yl)urea is Cc1noc(C)c1CN(C)C(=O)Nc1ccc2c(cnn2C)c1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-methylindazol-5-yl)urea?
The InChIKey is HWCAOSFDMSMWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-10-14(11(2)23-19-10)9-20(3)16(22)18-13-5-6-15-12(7-13)8-17-21(15)4/h5-8H,9H2,1-4H3,(H,18,22).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-methylindazol-5-yl)urea?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-methylindazol-5-yl)urea has a molecular weight of 313.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 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-methylindazol-5-yl)urea is sourced from PubChem (CID 72879689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).