1-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-3-(5-methyl-1,2-oxazol-3-yl)urea

C14H25N5O2 — CID 24657964

IUPAC1-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)NCC(C)(C)N2CCN(C)CC2)no1
InChIInChI=1S/C14H25N5O2/c1-11-9-12(17-21-11)16-13(20)15-10-14(2,3)19-7-5-18(4)6-8-19/h9H,5-8,10H2,1-4H3,(H2,15,16,17,20)
InChIKeyRIMNGZXBTIGMSB-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.13
Rot. Bonds4

About 1-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-3-(5-methyl-1,2-oxazol-3-yl)urea

1-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 24657964) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID24657964
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name1-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)NCC(C)(C)N2CCN(C)CC2)no1
InChIInChI=1S/C14H25N5O2/c1-11-9-12(17-21-11)16-13(20)15-10-14(2,3)19-7-5-18(4)6-8-19/h9H,5-8,10H2,1-4H3,(H2,15,16,17,20)
InChIKeyRIMNGZXBTIGMSB-UHFFFAOYSA-N
XLogP1.13
TPSA73.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methyl-1,2-oxazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea
CID 53499685
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110693557
1-(2-chloroethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812112
2,2-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108958534
1-(2-cyclohexylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 6460835
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide
CID 51282323
1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
CID 49470876
3-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide
CID 64677799
1-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)methyl]urea
CID 47125787
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]acetamide
CID 56806097
N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-morpholin-4-ylethyl)oxamide
CID 18588555
N'-(5-methyl-1,2-oxazol-3-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide
CID 30605445

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 24657964) is 1-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-3-(5-methyl-1,2-oxazol-3-yl)urea is Cc1cc(NC(=O)NCC(C)(C)N2CCN(C)CC2)no1.
What is the InChIKey of 1-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is RIMNGZXBTIGMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-11-9-12(17-21-11)16-13(20)15-10-14(2,3)19-7-5-18(4)6-8-19/h9H,5-8,10H2,1-4H3,(H2,15,16,17,20).
What are the key properties of 1-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 295.39 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 24657964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).