5-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-N-(4-hydroxycyclohexyl)-2-methoxybenzamide

C21H26N2O4 — CID 118708291

IUPAC5-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-N-(4-hydroxycyclohexyl)-2-methoxybenzamide
SMILESCOc1ccc(-c2oc(C3CC3)nc2C)cc1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C21H26N2O4/c1-12-19(27-21(22-12)13-3-4-13)14-5-10-18(26-2)17(11-14)20(25)23-15-6-8-16(24)9-7-15/h5,10-11,13,15-16,24H,3-4,6-9H2,1-2H3,(H,23,25)
InChIKeyYISZYDGVCQFMLY-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.57
Rot. Bonds5

About 5-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-N-(4-hydroxycyclohexyl)-2-methoxybenzamide

5-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-N-(4-hydroxycyclohexyl)-2-methoxybenzamide (PubChem CID 118708291) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 5-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-N-(4-hydroxycyclohexyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-N-(4-hydroxycyclohexyl)-2-methoxybenzamide
PubChem CID118708291
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name5-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-N-(4-hydroxycyclohexyl)-2-methoxybenzamide
SMILESCOc1ccc(-c2oc(C3CC3)nc2C)cc1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C21H26N2O4/c1-12-19(27-21(22-12)13-3-4-13)14-5-10-18(26-2)17(11-14)20(25)23-15-6-8-16(24)9-7-15/h5,10-11,13,15-16,24H,3-4,6-9H2,1-2H3,(H,23,25)
InChIKeyYISZYDGVCQFMLY-UHFFFAOYSA-N
XLogP3.57
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-N-(4-hydroxycyclohexyl)-2-methoxybenzamide?
The IUPAC name of 5-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-N-(4-hydroxycyclohexyl)-2-methoxybenzamide (CID 118708291) is 5-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-N-(4-hydroxycyclohexyl)-2-methoxybenzamide.
What is the SMILES notation for 5-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-N-(4-hydroxycyclohexyl)-2-methoxybenzamide?
The canonical SMILES for 5-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-N-(4-hydroxycyclohexyl)-2-methoxybenzamide is COc1ccc(-c2oc(C3CC3)nc2C)cc1C(=O)NC1CCC(O)CC1.
What is the InChIKey of 5-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-N-(4-hydroxycyclohexyl)-2-methoxybenzamide?
The InChIKey is YISZYDGVCQFMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-12-19(27-21(22-12)13-3-4-13)14-5-10-18(26-2)17(11-14)20(25)23-15-6-8-16(24)9-7-15/h5,10-11,13,15-16,24H,3-4,6-9H2,1-2H3,(H,23,25).
What are the key properties of 5-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-N-(4-hydroxycyclohexyl)-2-methoxybenzamide?
5-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-N-(4-hydroxycyclohexyl)-2-methoxybenzamide has a molecular weight of 370.45 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-N-(4-hydroxycyclohexyl)-2-methoxybenzamide is sourced from PubChem (CID 118708291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).