1,1,3-trimethyl-3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]urea

C14H24N4O2 — CID 166603414

IUPAC1,1,3-trimethyl-3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]urea
SMILESCc1cc(CN2CCC(N(C)C(=O)N(C)C)CC2)no1
InChIInChI=1S/C14H24N4O2/c1-11-9-12(15-20-11)10-18-7-5-13(6-8-18)17(4)14(19)16(2)3/h9,13H,5-8,10H2,1-4H3
InChIKeyLOIPCCWIOLGCPV-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.56
Rot. Bonds3

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

1,1,3-trimethyl-3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]urea (PubChem CID 166603414) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1,1,3-trimethyl-3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1,1,3-trimethyl-3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]urea
PubChem CID166603414
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1,1,3-trimethyl-3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]urea
SMILESCc1cc(CN2CCC(N(C)C(=O)N(C)C)CC2)no1
InChIInChI=1S/C14H24N4O2/c1-11-9-12(15-20-11)10-18-7-5-13(6-8-18)17(4)14(19)16(2)3/h9,13H,5-8,10H2,1-4H3
InChIKeyLOIPCCWIOLGCPV-UHFFFAOYSA-N
XLogP1.56
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 62917538
N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]benzamide
CID 33106364
N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 63849789
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]acetamide
CID 75373805
(4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanone
CID 166600818
N-methyl-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-1-phenylmethanesulfonamide
CID 154882868
N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]cyclopropanesulfonamide
CID 154580808
(6S)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-methylsulfonyl-1,4-diazepane-6-carboxamide
CID 124944436
3-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 66202944
3-[(3-tert-butylpyrrolidin-1-yl)methyl]-5-methyl-1,2-oxazole
CID 58235129
[(1R,2S)-2-aminocyclopentyl]-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 124697211
2-methyl-N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 55256260

Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethyl-3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]urea?
The IUPAC name of 1,1,3-trimethyl-3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]urea (CID 166603414) is 1,1,3-trimethyl-3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]urea.
What is the SMILES notation for 1,1,3-trimethyl-3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]urea?
The canonical SMILES for 1,1,3-trimethyl-3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]urea is Cc1cc(CN2CCC(N(C)C(=O)N(C)C)CC2)no1.
What is the InChIKey of 1,1,3-trimethyl-3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]urea?
The InChIKey is LOIPCCWIOLGCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11-9-12(15-20-11)10-18-7-5-13(6-8-18)17(4)14(19)16(2)3/h9,13H,5-8,10H2,1-4H3.
What are the key properties of 1,1,3-trimethyl-3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]urea?
1,1,3-trimethyl-3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]urea has a molecular weight of 280.37 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]urea is sourced from PubChem (CID 166603414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).