1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea

C18H32N4O2 — CID 97240369

IUPAC1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea
SMILESCc1noc(C)c1[C@H](C)CNC(=O)NC[C@@H](C)N1CCC(C)CC1
InChIInChI=1S/C18H32N4O2/c1-12-6-8-22(9-7-12)14(3)11-20-18(23)19-10-13(2)17-15(4)21-24-16(17)5/h12-14H,6-11H2,1-5H3,(H2,19,20,23)/t13-,14-/m1/s1
InChIKeyIVTMNMHDNPEHFI-ZIAGYGMSSA-N
MW336.48 g/mol
LogP2.81
Rot. Bonds6

About 1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea

1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea (PubChem CID 97240369) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea
PubChem CID97240369
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea
SMILESCc1noc(C)c1[C@H](C)CNC(=O)NC[C@@H](C)N1CCC(C)CC1
InChIInChI=1S/C18H32N4O2/c1-12-6-8-22(9-7-12)14(3)11-20-18(23)19-10-13(2)17-15(4)21-24-16(17)5/h12-14H,6-11H2,1-5H3,(H2,19,20,23)/t13-,14-/m1/s1
InChIKeyIVTMNMHDNPEHFI-ZIAGYGMSSA-N
XLogP2.81
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxy-2-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 111505364
1-(2-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 110910267
1-(2-hydroxy-3,3-dimethylbutyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 111338291
1-[2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea
CID 60598083
1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea
CID 97340875
1-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea
CID 95178018
(3S)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97240484
(3R)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 124588249
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 167943119
1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea
CID 167785125
3-(2-methoxyphenyl)-5-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-4-carboxamide
CID 46957473
1-(1-methylpiperidin-4-yl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea
CID 95681890

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea?
The IUPAC name of 1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea (CID 97240369) is 1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea.
What is the SMILES notation for 1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea?
The canonical SMILES for 1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea is Cc1noc(C)c1[C@H](C)CNC(=O)NC[C@@H](C)N1CCC(C)CC1.
What is the InChIKey of 1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea?
The InChIKey is IVTMNMHDNPEHFI-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-12-6-8-22(9-7-12)14(3)11-20-18(23)19-10-13(2)17-15(4)21-24-16(17)5/h12-14H,6-11H2,1-5H3,(H2,19,20,23)/t13-,14-/m1/s1.
What are the key properties of 1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea?
1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea has a molecular weight of 336.48 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea is sourced from PubChem (CID 97240369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).