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

C17H29N3O3 — CID 111115016

IUPAC1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea
SMILESCc1nc(NC(=O)NCC2(O)CCC(C(C)(C)C)CC2)oc1C
InChIInChI=1S/C17H29N3O3/c1-11-12(2)23-15(19-11)20-14(21)18-10-17(22)8-6-13(7-9-17)16(3,4)5/h13,22H,6-10H2,1-5H3,(H2,18,19,20,21)
InChIKeySVXLNDBMDGURKM-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.38
Rot. Bonds3

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

1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea (PubChem CID 111115016) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea.

Molecular Properties

Compound Name1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea
PubChem CID111115016
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea
SMILESCc1nc(NC(=O)NCC2(O)CCC(C(C)(C)C)CC2)oc1C
InChIInChI=1S/C17H29N3O3/c1-11-12(2)23-15(19-11)20-14(21)18-10-17(22)8-6-13(7-9-17)16(3,4)5/h13,22H,6-10H2,1-5H3,(H2,18,19,20,21)
InChIKeySVXLNDBMDGURKM-UHFFFAOYSA-N
XLogP3.38
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 111115226
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(4-hydroxycyclohexyl)urea
CID 47433405
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(5-hydroxy-4,4-dimethylpentyl)urea
CID 111486789
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 56786138
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(3-hydroxybutyl)urea
CID 111336661
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 111115374
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 111539116
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-4-methyloxane-4-carboxamide
CID 56787801
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129004435
(3S)-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxolane-3-carboxamide
CID 95325025
1-tert-butyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
CID 103752681
3-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-N-methylbenzene-1,3-dicarboxamide
CID 111463021

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea?
The IUPAC name of 1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea (CID 111115016) is 1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea.
What is the SMILES notation for 1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea?
The canonical SMILES for 1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea is Cc1nc(NC(=O)NCC2(O)CCC(C(C)(C)C)CC2)oc1C.
What is the InChIKey of 1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea?
The InChIKey is SVXLNDBMDGURKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-11-12(2)23-15(19-11)20-14(21)18-10-17(22)8-6-13(7-9-17)16(3,4)5/h13,22H,6-10H2,1-5H3,(H2,18,19,20,21).
What are the key properties of 1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea?
1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea has a molecular weight of 323.44 g/mol, XLogP of 3.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea is sourced from PubChem (CID 111115016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).