1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea

C17H30N4O3 — CID 111115226

IUPAC1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCc1noc(CCNC(=O)NCC2(O)CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C17H30N4O3/c1-12-20-14(24-21-12)7-10-18-15(22)19-11-17(23)8-5-13(6-9-17)16(2,3)4/h13,23H,5-11H2,1-4H3,(H2,18,19,22)
InChIKeyHSILDXKPVKAYQH-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.19
Rot. Bonds5

About 1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea

1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea (PubChem CID 111115226) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
PubChem CID111115226
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Name1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCc1noc(CCNC(=O)NCC2(O)CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C17H30N4O3/c1-12-20-14(24-21-12)7-10-18-15(22)19-11-17(23)8-5-13(6-9-17)16(2,3)4/h13,23H,5-11H2,1-4H3,(H2,18,19,22)
InChIKeyHSILDXKPVKAYQH-UHFFFAOYSA-N
XLogP2.19
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea with MolForge

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Related Compounds

N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 56786138
1-[(1-hydroxycyclohexyl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 110936721
1-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 106420807
1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 75378759
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 65123880
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]cyclopropane-1-carboxylic acid
CID 113363786
4,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 146123022
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 106420746
N-[(4-hydroxyoxan-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 79039524
1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea
CID 111115016
1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 111121157
1-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119310003

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The IUPAC name of 1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea (CID 111115226) is 1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The canonical SMILES for 1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea is Cc1noc(CCNC(=O)NCC2(O)CCC(C(C)(C)C)CC2)n1.
What is the InChIKey of 1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The InChIKey is HSILDXKPVKAYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-12-20-14(24-21-12)7-10-18-15(22)19-11-17(23)8-5-13(6-9-17)16(2,3)4/h13,23H,5-11H2,1-4H3,(H2,18,19,22).
What are the key properties of 1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea has a molecular weight of 338.45 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea is sourced from PubChem (CID 111115226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).