1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-(2-propylsulfanylphenyl)urea

C17H22N4O2S — CID 72910840

IUPAC1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-(2-propylsulfanylphenyl)urea
SMILESCCCSc1ccccc1NC(=O)N(C)Cc1nc(C2CC2)no1
InChIInChI=1S/C17H22N4O2S/c1-3-10-24-14-7-5-4-6-13(14)18-17(22)21(2)11-15-19-16(20-23-15)12-8-9-12/h4-7,12H,3,8-11H2,1-2H3,(H,18,22)
InChIKeyGACQRMSJIUSRPJ-UHFFFAOYSA-N
MW346.46 g/mol
LogP4.11
Rot. Bonds7

About 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-(2-propylsulfanylphenyl)urea

1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-(2-propylsulfanylphenyl)urea (PubChem CID 72910840) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-(2-propylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-(2-propylsulfanylphenyl)urea
PubChem CID72910840
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-(2-propylsulfanylphenyl)urea
SMILESCCCSc1ccccc1NC(=O)N(C)Cc1nc(C2CC2)no1
InChIInChI=1S/C17H22N4O2S/c1-3-10-24-14-7-5-4-6-13(14)18-17(22)21(2)11-15-19-16(20-23-15)12-8-9-12/h4-7,12H,3,8-11H2,1-2H3,(H,18,22)
InChIKeyGACQRMSJIUSRPJ-UHFFFAOYSA-N
XLogP4.11
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-phenylmethanamine
CID 25453292
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-hydroxy-3-phenylpropyl)-1-methylurea
CID 122561757
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(2-methylphenyl)methanamine
CID 51076501
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-3-methoxypropan-2-ol
CID 62016177
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-phenylurea
CID 51108291
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50979608
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-quinoxalin-2-ylmethanamine
CID 91835446
3-(2-ethylsulfanylphenyl)-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea
CID 118781362
5-[[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]-2-hydroxybenzoic acid
CID 56703224
3-[2-[[(2-bromophenyl)methyl-methylcarbamoyl]amino]phenyl]sulfanylpropanamide
CID 56586769
1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(difluoromethylsulfanyl)phenyl]-1-methylurea
CID 111859091
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2-methoxyphenyl)-N-methylethanamine
CID 51078362

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-(2-propylsulfanylphenyl)urea?
The IUPAC name of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-(2-propylsulfanylphenyl)urea (CID 72910840) is 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-(2-propylsulfanylphenyl)urea.
What is the SMILES notation for 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-(2-propylsulfanylphenyl)urea?
The canonical SMILES for 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-(2-propylsulfanylphenyl)urea is CCCSc1ccccc1NC(=O)N(C)Cc1nc(C2CC2)no1.
What is the InChIKey of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-(2-propylsulfanylphenyl)urea?
The InChIKey is GACQRMSJIUSRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-3-10-24-14-7-5-4-6-13(14)18-17(22)21(2)11-15-19-16(20-23-15)12-8-9-12/h4-7,12H,3,8-11H2,1-2H3,(H,18,22).
What are the key properties of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-(2-propylsulfanylphenyl)urea?
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-(2-propylsulfanylphenyl)urea has a molecular weight of 346.46 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-(2-propylsulfanylphenyl)urea is sourced from PubChem (CID 72910840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).