1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-3-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]urea

C16H18N4O4 — CID 166350441

IUPAC1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-3-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]urea
SMILESCOCc1noc(NC(=O)N[C@H](C)c2oc3ccccc3c2C)n1
InChIInChI=1S/C16H18N4O4/c1-9-11-6-4-5-7-12(11)23-14(9)10(2)17-15(21)19-16-18-13(8-22-3)20-24-16/h4-7,10H,8H2,1-3H3,(H2,17,18,19,20,21)/t10-/m1/s1
InChIKeyMGKGRGJXRDJAGV-SNVBAGLBSA-N
MW330.34 g/mol
LogP3.15
Rot. Bonds5

About 1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-3-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]urea

1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-3-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]urea (PubChem CID 166350441) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-3-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-3-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]urea
PubChem CID166350441
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-3-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]urea
SMILESCOCc1noc(NC(=O)N[C@H](C)c2oc3ccccc3c2C)n1
InChIInChI=1S/C16H18N4O4/c1-9-11-6-4-5-7-12(11)23-14(9)10(2)17-15(21)19-16-18-13(8-22-3)20-24-16/h4-7,10H,8H2,1-3H3,(H2,17,18,19,20,21)/t10-/m1/s1
InChIKeyMGKGRGJXRDJAGV-SNVBAGLBSA-N
XLogP3.15
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)urea
CID 166280594
1-(3-methoxycyclobutyl)-3-[1-(3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 166532954
1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(6-methylsulfonyl-3-pyridinyl)urea
CID 166532279
1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-pyrazol-1-ylphenyl)urea
CID 112838345
1-(4-methoxyoxolan-3-yl)-3-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 166532863
4-chloro-N-methyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide
CID 119047574
2-methyl-3-(methylamino)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propanamide;hydrochloride
CID 119737278
1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(3-methyloxetan-3-yl)urea
CID 166532779
N-ethyl-3-methyl-4-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide
CID 94166195
N,N-dimethyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide
CID 166532128
1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea
CID 166428389
1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-[4-(5-oxopyrrolidin-2-yl)phenyl]urea
CID 166532452

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-3-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]urea?
The IUPAC name of 1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-3-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]urea (CID 166350441) is 1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-3-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]urea.
What is the SMILES notation for 1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-3-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]urea?
The canonical SMILES for 1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-3-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]urea is COCc1noc(NC(=O)N[C@H](C)c2oc3ccccc3c2C)n1.
What is the InChIKey of 1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-3-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]urea?
The InChIKey is MGKGRGJXRDJAGV-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-9-11-6-4-5-7-12(11)23-14(9)10(2)17-15(21)19-16-18-13(8-22-3)20-24-16/h4-7,10H,8H2,1-3H3,(H2,17,18,19,20,21)/t10-/m1/s1.
What are the key properties of 1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-3-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]urea?
1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-3-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]urea has a molecular weight of 330.34 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-3-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]urea is sourced from PubChem (CID 166350441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).