1-cyclobutyl-3-[(1R)-5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylurea

C19H24N4O3 — CID 177230129

IUPAC1-cyclobutyl-3-[(1R)-5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylurea
SMILESCOCc1noc(-c2ccc3c(c2)CC[C@H]3NC(=O)N(C)C2CCC2)n1
InChIInChI=1S/C19H24N4O3/c1-23(14-4-3-5-14)19(24)20-16-9-7-12-10-13(6-8-15(12)16)18-21-17(11-25-2)22-26-18/h6,8,10,14,16H,3-5,7,9,11H2,1-2H3,(H,20,24)/t16-/m1/s1
InChIKeyCQYQUVKKAGDDSK-MRXNPFEDSA-N
MW356.43 g/mol
LogP3.06
Rot. Bonds5

About 1-cyclobutyl-3-[(1R)-5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylurea

1-cyclobutyl-3-[(1R)-5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylurea (PubChem CID 177230129) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-cyclobutyl-3-[(1R)-5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylurea.

Molecular Properties

Compound Name1-cyclobutyl-3-[(1R)-5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylurea
PubChem CID177230129
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-cyclobutyl-3-[(1R)-5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylurea
SMILESCOCc1noc(-c2ccc3c(c2)CC[C@H]3NC(=O)N(C)C2CCC2)n1
InChIInChI=1S/C19H24N4O3/c1-23(14-4-3-5-14)19(24)20-16-9-7-12-10-13(6-8-15(12)16)18-21-17(11-25-2)22-26-18/h6,8,10,14,16H,3-5,7,9,11H2,1-2H3,(H,20,24)/t16-/m1/s1
InChIKeyCQYQUVKKAGDDSK-MRXNPFEDSA-N
XLogP3.06
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclobutyl-3-[(1R)-5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylurea with MolForge

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Related Compounds

tert-butyl N-[(1R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 139330971
methyl N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 139424965
2-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide
CID 139412251
1-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide
CID 139412462
[(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamic acid
CID 139413144
6-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-1-carboxamide
CID 177230066
N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139412881
N-[(1R)-5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide
CID 139412831
2-methylpropyl N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 139424967
2,2,2-trideuterio-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139412727
phenyl N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 177230123
3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole
CID 59009688

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[(1R)-5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylurea?
The IUPAC name of 1-cyclobutyl-3-[(1R)-5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylurea (CID 177230129) is 1-cyclobutyl-3-[(1R)-5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylurea.
What is the SMILES notation for 1-cyclobutyl-3-[(1R)-5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylurea?
The canonical SMILES for 1-cyclobutyl-3-[(1R)-5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylurea is COCc1noc(-c2ccc3c(c2)CC[C@H]3NC(=O)N(C)C2CCC2)n1.
What is the InChIKey of 1-cyclobutyl-3-[(1R)-5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylurea?
The InChIKey is CQYQUVKKAGDDSK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-23(14-4-3-5-14)19(24)20-16-9-7-12-10-13(6-8-15(12)16)18-21-17(11-25-2)22-26-18/h6,8,10,14,16H,3-5,7,9,11H2,1-2H3,(H,20,24)/t16-/m1/s1.
What are the key properties of 1-cyclobutyl-3-[(1R)-5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylurea?
1-cyclobutyl-3-[(1R)-5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylurea has a molecular weight of 356.43 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-[(1R)-5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylurea is sourced from PubChem (CID 177230129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).