N-(1-adamantyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide

C21H24N2O2S — CID 90502699

IUPACN-(1-adamantyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)C1(c2cc(-c3cccs3)on2)CC1
InChIInChI=1S/C21H24N2O2S/c24-19(22-20-10-13-6-14(11-20)8-15(7-13)12-20)21(3-4-21)18-9-16(25-23-18)17-2-1-5-26-17/h1-2,5,9,13-15H,3-4,6-8,10-12H2,(H,22,24)
InChIKeyKTUQBFAVRQAJGM-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.52
Rot. Bonds4

About N-(1-adamantyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide

N-(1-adamantyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 90502699) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-(1-adamantyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
PubChem CID90502699
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-(1-adamantyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)C1(c2cc(-c3cccs3)on2)CC1
InChIInChI=1S/C21H24N2O2S/c24-19(22-20-10-13-6-14(11-20)8-15(7-13)12-20)21(3-4-21)18-9-16(25-23-18)17-2-1-5-26-17/h1-2,5,9,13-15H,3-4,6-8,10-12H2,(H,22,24)
InChIKeyKTUQBFAVRQAJGM-UHFFFAOYSA-N
XLogP4.52
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide (CID 90502699) is N-(1-adamantyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)C1(c2cc(-c3cccs3)on2)CC1.
What is the InChIKey of N-(1-adamantyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is KTUQBFAVRQAJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c24-19(22-20-10-13-6-14(11-20)8-15(7-13)12-20)21(3-4-21)18-9-16(25-23-18)17-2-1-5-26-17/h1-2,5,9,13-15H,3-4,6-8,10-12H2,(H,22,24).
What are the key properties of N-(1-adamantyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
N-(1-adamantyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90502699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).