1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)urea

C15H17N5O2 — CID 166280594

IUPAC1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)urea
SMILESCc1c([C@@H](C)NC(=O)Nc2nncn2C)oc2ccccc12
InChIInChI=1S/C15H17N5O2/c1-9-11-6-4-5-7-12(11)22-13(9)10(2)17-15(21)18-14-19-16-8-20(14)3/h4-8,10H,1-3H3,(H2,17,18,19,21)/t10-/m1/s1
InChIKeyFQWZUBSOFRDMJB-SNVBAGLBSA-N
MW299.33 g/mol
LogP2.75
Rot. Bonds3

About 1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)urea

1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)urea (PubChem CID 166280594) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)urea
PubChem CID166280594
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)urea
SMILESCc1c([C@@H](C)NC(=O)Nc2nncn2C)oc2ccccc12
InChIInChI=1S/C15H17N5O2/c1-9-11-6-4-5-7-12(11)22-13(9)10(2)17-15(21)18-14-19-16-8-20(14)3/h4-8,10H,1-3H3,(H2,17,18,19,21)/t10-/m1/s1
InChIKeyFQWZUBSOFRDMJB-SNVBAGLBSA-N
XLogP2.75
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)urea with MolForge

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Related Compounds

1-(3-methyl-1-benzofuran-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 61004796
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1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-pyrazol-1-ylphenyl)urea
CID 112838345
1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(6-methylsulfonyl-3-pyridinyl)urea
CID 166532279
1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 166532520
1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-3-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 166350441
1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(3-methyloxetan-3-yl)urea
CID 166532779
N,N-dimethyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide
CID 166532128
1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 166532852
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide
CID 87006668
1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-methyl-6-oxopiperidin-3-yl)urea
CID 166532014
4-chloro-N-methyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide
CID 119047574

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)urea?
The IUPAC name of 1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)urea (CID 166280594) is 1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)urea.
What is the SMILES notation for 1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)urea?
The canonical SMILES for 1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)urea is Cc1c([C@@H](C)NC(=O)Nc2nncn2C)oc2ccccc12.
What is the InChIKey of 1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)urea?
The InChIKey is FQWZUBSOFRDMJB-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-9-11-6-4-5-7-12(11)22-13(9)10(2)17-15(21)18-14-19-16-8-20(14)3/h4-8,10H,1-3H3,(H2,17,18,19,21)/t10-/m1/s1.
What are the key properties of 1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)urea?
1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)urea has a molecular weight of 299.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)urea is sourced from PubChem (CID 166280594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).