1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]urea

C17H24N4O2S — CID 138021043

IUPAC1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]urea
SMILESCc1cc(NC(=O)N(C)CC2CCN(Cc3ccc(C)s3)C2)no1
InChIInChI=1S/C17H24N4O2S/c1-12-8-16(19-23-12)18-17(22)20(3)9-14-6-7-21(10-14)11-15-5-4-13(2)24-15/h4-5,8,14H,6-7,9-11H2,1-3H3,(H,18,19,22)
InChIKeyUJLJWUCSONULHY-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.34
Rot. Bonds5

About 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]urea

1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]urea (PubChem CID 138021043) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]urea
PubChem CID138021043
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]urea
SMILESCc1cc(NC(=O)N(C)CC2CCN(Cc3ccc(C)s3)C2)no1
InChIInChI=1S/C17H24N4O2S/c1-12-8-16(19-23-12)18-17(22)20(3)9-14-6-7-21(10-14)11-15-5-4-13(2)24-15/h4-5,8,14H,6-7,9-11H2,1-3H3,(H,18,19,22)
InChIKeyUJLJWUCSONULHY-UHFFFAOYSA-N
XLogP3.34
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-methyl-N-[[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 126816745
1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129337631
1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 98773676
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 119922199
3-methyl-6-[methyl-[[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]amino]-1H-pyrimidine-2,4-dione;hydrochloride
CID 154782586
3-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 62063401
3-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-1-[(1-methylpiperidin-3-yl)methyl]urea
CID 71992355
3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]propanoic acid
CID 65062242
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 119933945
4-ethyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 70894300
2-(4-benzylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8904460
N-(5-methyl-1,2-oxazol-3-yl)-1-(5-methylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 39700752

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]urea (CID 138021043) is 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]urea is Cc1cc(NC(=O)N(C)CC2CCN(Cc3ccc(C)s3)C2)no1.
What is the InChIKey of 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]urea?
The InChIKey is UJLJWUCSONULHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-12-8-16(19-23-12)18-17(22)20(3)9-14-6-7-21(10-14)11-15-5-4-13(2)24-15/h4-5,8,14H,6-7,9-11H2,1-3H3,(H,18,19,22).
What are the key properties of 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]urea?
1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]urea has a molecular weight of 348.47 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 138021043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).