1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[1-(2-hydroxycyclohexyl)piperidin-4-yl]urea

C19H32N4O3 — CID 127599058

IUPAC1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[1-(2-hydroxycyclohexyl)piperidin-4-yl]urea
SMILESCc1noc(C)c1CCNC(=O)NC1CCN(C2CCCCC2O)CC1
InChIInChI=1S/C19H32N4O3/c1-13-16(14(2)26-22-13)7-10-20-19(25)21-15-8-11-23(12-9-15)17-5-3-4-6-18(17)24/h15,17-18,24H,3-12H2,1-2H3,(H2,20,21,25)
InChIKeyUVLZZNOCUCLPFC-UHFFFAOYSA-N
MW364.49 g/mol
LogP1.90
Rot. Bonds5

About 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[1-(2-hydroxycyclohexyl)piperidin-4-yl]urea

1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[1-(2-hydroxycyclohexyl)piperidin-4-yl]urea (PubChem CID 127599058) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[1-(2-hydroxycyclohexyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[1-(2-hydroxycyclohexyl)piperidin-4-yl]urea
PubChem CID127599058
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[1-(2-hydroxycyclohexyl)piperidin-4-yl]urea
SMILESCc1noc(C)c1CCNC(=O)NC1CCN(C2CCCCC2O)CC1
InChIInChI=1S/C19H32N4O3/c1-13-16(14(2)26-22-13)7-10-20-19(25)21-15-8-11-23(12-9-15)17-5-3-4-6-18(17)24/h15,17-18,24H,3-12H2,1-2H3,(H2,20,21,25)
InChIKeyUVLZZNOCUCLPFC-UHFFFAOYSA-N
XLogP1.90
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentanecarboxamide
CID 110646241
1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47850579
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(2-methoxycyclohexyl)urea
CID 71973668
1-cyclopentyl-3-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]urea
CID 110747761
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]oxolane-2-carboxamide
CID 110646239
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide
CID 122556067
2-N-cyclopropyl-1-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide
CID 75388720
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-hydroxycyclohexyl)propanamide
CID 43389662
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]acetamide
CID 118767384
1-cyclopentyl-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]guanidine
CID 119147204
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96500616
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 119157988

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[1-(2-hydroxycyclohexyl)piperidin-4-yl]urea?
The IUPAC name of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[1-(2-hydroxycyclohexyl)piperidin-4-yl]urea (CID 127599058) is 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[1-(2-hydroxycyclohexyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[1-(2-hydroxycyclohexyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[1-(2-hydroxycyclohexyl)piperidin-4-yl]urea is Cc1noc(C)c1CCNC(=O)NC1CCN(C2CCCCC2O)CC1.
What is the InChIKey of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[1-(2-hydroxycyclohexyl)piperidin-4-yl]urea?
The InChIKey is UVLZZNOCUCLPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-13-16(14(2)26-22-13)7-10-20-19(25)21-15-8-11-23(12-9-15)17-5-3-4-6-18(17)24/h15,17-18,24H,3-12H2,1-2H3,(H2,20,21,25).
What are the key properties of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[1-(2-hydroxycyclohexyl)piperidin-4-yl]urea?
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[1-(2-hydroxycyclohexyl)piperidin-4-yl]urea has a molecular weight of 364.49 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[1-(2-hydroxycyclohexyl)piperidin-4-yl]urea is sourced from PubChem (CID 127599058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).