1-(2,3-dihydro-1H-inden-2-yl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-propylurea

C22H24N4O2 — CID 118766511

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-propylurea
SMILESCCCN(C(=O)Nc1ccc(-c2nnc(C)o2)cc1)C1Cc2ccccc2C1
InChIInChI=1S/C22H24N4O2/c1-3-12-26(20-13-17-6-4-5-7-18(17)14-20)22(27)23-19-10-8-16(9-11-19)21-25-24-15(2)28-21/h4-11,20H,3,12-14H2,1-2H3,(H,23,27)
InChIKeyPRGXVZZWHAGHAU-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.46
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-2-yl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-propylurea

1-(2,3-dihydro-1H-inden-2-yl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-propylurea (PubChem CID 118766511) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-propylurea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-propylurea
PubChem CID118766511
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-propylurea
SMILESCCCN(C(=O)Nc1ccc(-c2nnc(C)o2)cc1)C1Cc2ccccc2C1
InChIInChI=1S/C22H24N4O2/c1-3-12-26(20-13-17-6-4-5-7-18(17)14-20)22(27)23-19-10-8-16(9-11-19)21-25-24-15(2)28-21/h4-11,20H,3,12-14H2,1-2H3,(H,23,27)
InChIKeyPRGXVZZWHAGHAU-UHFFFAOYSA-N
XLogP4.46
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-phenylacetamide
CID 110725539
2-amino-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 164831396
1-[(2-ethylphenyl)methyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 71864877
N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-4-methyl-N-propyl-1,3-oxazole-5-carboxamide
CID 77094661
N-(2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide
CID 19710204
2-(hydroxymethyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 111618266
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 661234
2-(2-methoxyphenoxy)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 25284211
N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 155951507
3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-oxopropanamide
CID 58032928
3-phenyl-1-piperidin-4-yl-1-propylurea
CID 18372791
4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylaniline
CID 165056405

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-propylurea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-propylurea (CID 118766511) is 1-(2,3-dihydro-1H-inden-2-yl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-propylurea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-propylurea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-propylurea is CCCN(C(=O)Nc1ccc(-c2nnc(C)o2)cc1)C1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-propylurea?
The InChIKey is PRGXVZZWHAGHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-3-12-26(20-13-17-6-4-5-7-18(17)14-20)22(27)23-19-10-8-16(9-11-19)21-25-24-15(2)28-21/h4-11,20H,3,12-14H2,1-2H3,(H,23,27).
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-propylurea?
1-(2,3-dihydro-1H-inden-2-yl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-propylurea has a molecular weight of 376.46 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-propylurea is sourced from PubChem (CID 118766511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).